Mercurial > repos > prog > lcmsmatching
view test-data/filedb.tsv @ 5:fb9c0409d85c draft
planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 608d9e59a0d2dcf85a037968ddb2c61137fb9bce
| author | prog |
|---|---|
| date | Wed, 19 Apr 2017 10:00:05 -0400 |
| parents | 20d69a062da3 |
| children | f86fec07f392 |
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"compoundid" "msmode" "mztheo" "peakcomp" "peakattr" "chromcol" "chromcolrt" "compoundcomp" "compoundmass" "fullnames" A10 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(H2O)-(NH3)]+" "colzz" 5.69 "J114L6M62O2" 146.10553 Blablaine' A10 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(H2O)-(NH3)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 Blablaine' A10 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(H2O)-(NH3)]+" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(H2O)-(NH3)]+" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(H2O)-(NH3)]+" "colzz2" 4.08 "J114L6M62O2" 146.10553 Blablaine' A10 "POS" 191.076694 "P92Z6W413 Na2 O2" "[(M-H+2Na)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 191.076694 "P92Z6W413 Na2 O2" "[(M-H+2Na)]+" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 294.221687 "U1113P94ZW429 O4" "[(2M+H)]+ (13C)" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 72.080775 "P9Z4W410 O0" 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146.10553 "Blablaine" A10 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(NH3)-(HCOOH)]+" "colzz3" 4.54 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(NH3)-(HCOOH)]+" "colpp" 0.89 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 148.116159 "U513P92ZW415 O2" "[(M+H)]+ (13C)" "hcoltt" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 148.116159 "U513P92ZW415 O2" "[(M+H)]+ (13C)" "colzz" 5.69 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 145.097154 "P92Z6W413 O2" "[(M+H)-(H2)]+" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 148.116159 "U513P92ZW415 O2" "[(M+H)]+ (13C)" "colpp" 0.89 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 70.065125 "P9Z4W48 O0" "[(M+H)-(J17L2M6O2)]+" "hcoltt" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 70.065125 "P9Z4W48 O0" "[(M+H)-(J17L2M6O2)]+" "colzz" 5.69 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 70.065125 "P9Z4W48 O0" "[(M+H)-(J17L2M6O2)]+" "colzz3" 4.54 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 70.065125 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"P92Z6W415 O 18O" "[(M+H)]+ (18O)" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 337.182222 "P94Z12W427 Na2 O4" "[(2M-H+2Na)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 337.182222 "P94Z12W427 Na2 O4" "[(2M-H+2Na)]+" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 337.182222 "P94Z12W427 Na2 O4" "[(2M-H+2Na)]+" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 337.182222 "P94Z12W427 Na2 O4" "[(2M-H+2Na)]+" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 51.0573 "P92Z5W414 O0" "[(M+2H)-(HCOOH)]++" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 51.0573 "P92Z5W414 O0" "[(M+2H)-(HCOOH)]++" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 360.167522 "U1113P94ZW426 Na3 O4" "[(2M-2H+3Na)]+ (13C)" "colzz3" 4.54 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 51.0573 "P92Z5W414 O0" "[(M+2H)-(HCOOH)]++" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 251.032367 "U6H13 Cl0 37Cl N2 Na3 O2" 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"J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 315.200277 "P94Z12W428 Na O4" "[(2M+Na)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 315.200277 "P94Z12W428 Na O4" "[(2M+Na)]+" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 315.200277 "P94Z12W428 Na O4" "[(2M+Na)]+" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 315.200277 "P94Z12W428 Na O4" "[(2M+Na)]+" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 107.08961 "U313P9ZW412 O2" "[(M+H)-(J13L2M6)]+ (13C)" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 107.08961 "U313P9ZW412 O2" "[(M+H)-(J13L2M6)]+ (13C)" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 107.08961 "U313P9ZW412 O2" "[(M+H)-(J13L2M6)]+ (13C)" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 107.08961 "U313P9ZW412 O2" "[(M+H)-(J13L2M6)]+ (13C)" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 95.074992 "U713P93ZW419 O2" "[(M+2H)+(CH3CN)]++ (13C)" "colAA" 1.58 "J114L6M62O2" 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170.098104 "U513P92ZW414 Na O2" "[(M+Na)]+ (13C)" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.06004 "P92Z6W416 O2" "[(M+2H)]++" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.06004 "P92Z6W416 O2" "[(M+2H)]++" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.06004 "P92Z6W416 O2" "[(M+2H)]++" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.06004 "P92Z6W416 O2" "[(M+2H)]++" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.096425 "P9Z4W412 O0" "[(M+H)-(J13L2M6O2)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.096425 "P9Z4W412 O0" "[(M+H)-(J13L2M6O2)]+" "colzz2" 4.08 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.096425 "P9Z4W412 O0" "[(M+H)-(J13L2M6O2)]+" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 74.096425 "P9Z4W412 O0" "[(M+H)-(J13L2M6O2)]+" "somecol" 8.97 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 75.062162 "P92Z6W416 O 18O" "[(M+2H)]++ (18O)" "colAA" 1.58 "J114L6M62O2" 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"P92Z5W414 O0" "[(M+2H)-(HCOOH)]++" "col12" 0.8 "J114L6M62O2" 146.10553 "Blablaine" A10 "POS" 417.12279 "U12H26 Cl N4 Na4 O4" "[(2M-2H+3Na)+(NaCl)]+" "colAA" 1.58 "J114L6M62O2" 146.10553 "Blablaine" K12 "POS" 53.06848 "U313P92Z2W416" "[(M+2H)]++ (13C2)" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 104.120009 "P9Z5W415 15N" "[(M+H)]+ (15N)" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5636425 "P9Z5W416 15N" "[(M+2H)]++ (15N)" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5636425 "P9Z5W416 15N" "[(M+2H)]++ (15N)" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.065125 "P92Z5W416" "[(M+2H)]++" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5636425 "P9Z5W416 15N" "[(M+2H)]++ (15N)" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 53.06848 "U313P92Z2W416" "[(M+2H)]++ (13C2)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5668025 "U413P92ZW416" "[(M+2H)]++ (13C)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5668025 "U413P92ZW416" "[(M+2H)]++ (13C)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.5636425 "P9Z5W416 15N" "[(M+2H)]++ (15N)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 72.080775 "P9Z4W410" "[(M+H)-(J15LM6)]+" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.065125 "P92Z5W416" "[(M+2H)]++" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 103.122974 "P92Z5W415" "[(M+H)]+" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 103.122974 "P92Z5W415" "[(M+H)]+" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 105.129684 "U313P92Z2W415" "[(M+H)]+ (13C2)" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 105.129684 "U313P92Z2W415" "[(M+H)]+ (13C2)" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 105.129684 "U313P92Z2W415" "[(M+H)]+ (13C2)" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 102.110679 "U413P92ZW413" "[(M+H)-(H2)]+ (13C)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 103.122974 "P92Z5W415" "[(M+H)]+" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09978 "U413P9ZW412" "[(M+H)-(NH3)]+ (13C)" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09978 "U413P9ZW412" "[(M+H)-(NH3)]+ (13C)" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09978 "U413P9ZW412" "[(M+H)-(NH3)]+ (13C)" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 70.073231 "U413P90ZW49" "[(M+H)-2(NH3)]+ (13C)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 70.073231 "U413P90ZW49" "[(M+H)-2(NH3)]+ (13C)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 52.065125 "P92Z5W416" "[(M+2H)]++" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 74.096425 "P9Z4W412" "[(M+H)-(J13LM6)]+" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 101.107324 "P92Z5W413" "[(M+H)-(H2)]+" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 101.107324 "P92Z5W413" "[(M+H)-(H2)]+" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 101.107324 "P92Z5W413" "[(M+H)-(H2)]+" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 104.126329 "U413P92ZW415" "[(M+H)]+ (13C)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 104.126329 "U413P92ZW415" "[(M+H)]+ (13C)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 58.065125 "P9Z3W48" "[(M+H)-(J17L2M6)]+" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 58.065125 "P9Z3W48" "[(M+H)-(J17L2M6)]+" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 104.120009 "P9Z5W415 15N" "[(M+H)]+ (15N)" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 85.08413 "U413P9ZW410" "[(M+H)-(H2)-(NH3)]+ (13C)" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 85.08413 "U413P9ZW410" "[(M+H)-(H2)-(NH3)]+ (13C)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 69.069876 "P90Z5W49" "[(M+H)-2(NH3)]+" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 69.069876 "P90Z5W49" "[(M+H)-2(NH3)]+" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 102.110679 "U413P92ZW413" "[(M+H)-(H2)]+ (13C)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 86.096425 "P9Z5W412" "[(M+H)-(NH3)]+" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 86.096425 "P9Z5W412" "[(M+H)-(NH3)]+" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 84.080775 "P9Z5W410" "[(M+H)-(H2)-(NH3)]+" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 84.080775 "P9Z5W410" "[(M+H)-(H2)-(NH3)]+" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 84.080775 "P9Z5W410" "[(M+H)-(H2)-(NH3)]+" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 74.096425 "P9Z4W412" "[(M+H)-(J13LM6)]+" "colAA" 1.75 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09346 "P90Z5W412 15N" "[(M+H)-(NH3)]+ (15N)" "hcoltt" 0.8 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 58.065125 "P9Z3W48" "[(M+H)-(J17L2M6)]+" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09346 "P90Z5W412 15N" "[(M+H)-(NH3)]+ (15N)" "colpp" 0.88 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 87.09346 "P90Z5W412 15N" "[(M+H)-(NH3)]+ (15N)" "colzz" 9.14 "J114L5M62" 102.1157 "Pompomine" K12 "POS" 105.129684 "U313P92Z2W415" "[(M+H)]+ (13C2)" "col12" 0.77 "J114L5M62" 102.1157 "Pompomine" P5 "NEG" 366.058797 "U813P92ZW416 Na3 O9" "[(M-H)+3(HCOONa)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.104754 "P9Z6W415 15N O3" "[(M+H)]+ (15N)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.0585 "U413C2 H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C2)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.104754 "P9Z6W415 15N O3" "[(M+H)]+ (15N)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.104754 "P9Z6W415 15N O3" "[(M+H)]+ (15N)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.0585 "U413C2 H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C2)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 366.058797 "U813P92ZW416 Na3 O9" "[(M-H)+3(HCOONa)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 366.058797 "U813P92ZW416 Na3 O9" "[(M-H)+3(HCOONa)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 366.058797 "U813P92ZW416 Na3 O9" "[(M-H)+3(HCOONa)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 366.058797 "U813P92ZW416 Na3 O9" "[(M-H)+3(HCOONa)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.0585 "U413C2 H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C2)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.0585 "U413C2 H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C2)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 50.049475 "P92Z5W412 O0" "[(M+2H)-(H2O)-(HCOOH)]++" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.04884 "U6H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (37Cl)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.04884 "U6H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.04884 "U6H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.04884 "U6H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (37Cl)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 50.049475 "P92Z5W412 O0" "[(M+2H)-(H2O)-(HCOOH)]++" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.100509 "U513P92ZW413 O2" "[(M+H)-(H2O)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.100509 "U513P92ZW413 O2" "[(M+H)-(H2O)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.100509 "U513P92ZW413 O2" "[(M+H)-(H2O)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.100509 "U513P92ZW413 O2" "[(M+H)-(H2O)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.08117 "P9Z6W412 O3" "[(M+H)-(NH3)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 221.04884 "U6H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.100509 "U513P92ZW413 O2" "[(M+H)-(H2O)]+ (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.08117 "P9Z6W412 O3" "[(M+H)-(NH3)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.08117 "P9Z6W412 O3" "[(M+H)-(NH3)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 348.193462 "U1113P94ZW428 Na O6" "[(2M+Na)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 348.193462 "U1113P94ZW428 Na O6" "[(2M+Na)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 348.193462 "U1113P94ZW428 Na O6" "[(2M+Na)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 348.193462 "U1113P94ZW428 Na O6" "[(2M+Na)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 298.071372 "U713P92ZW415 Na2 O7" "[(M-H)+2(HCOONa)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 298.071372 "U713P92ZW415 Na2 O7" "[(M-H)+2(HCOONa)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 298.071372 "U713P92ZW415 Na2 O7" "[(M-H)+2(HCOONa)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 298.071372 "U713P92ZW415 Na2 O7" "[(M-H)+2(HCOONa)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 298.071372 "U713P92ZW415 Na2 O7" "[(M-H)+2(HCOONa)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 186.093019 "U513P92ZW414 Na O3" "[(M+Na)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 186.093019 "U513P92ZW414 Na O3" "[(M+Na)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 186.093019 "U513P92ZW414 Na O3" "[(M+Na)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 186.093019 "U513P92ZW414 Na O3" "[(M+Na)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 183.075112 "P92Z6W412 Na O3" "[(M-2H+Na)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 183.075112 "P92Z6W412 Na O3" "[(M-2H+Na)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 183.075112 "P92Z6W412 Na O3" "[(M-2H+Na)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.08117 "P9Z6W412 O3" "[(M+H)-(NH3)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 183.075112 "P92Z6W412 Na O3" "[(M-2H+Na)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 404.137533 "U1113C H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 404.137533 "U1113C H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 404.137533 "U1113C H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 404.137533 "U1113C H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 347.190107 "P94Z12W428 Na O6" "[(2M+Na)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 347.190107 "P94Z12W428 Na O6" "[(2M+Na)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 347.190107 "P94Z12W428 Na O6" "[(2M+Na)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 347.190107 "P94Z12W428 Na O6" "[(2M+Na)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 347.190107 "P94Z12W428 Na O6" "[(2M+Na)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 345.175555 "P94Z12W426 Na O6" "[(2M-2H+Na)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 345.175555 "P94Z12W426 Na O6" "[(2M-2H+Na)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 345.175555 "P94Z12W426 Na O6" "[(2M-2H+Na)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 345.175555 "P94Z12W426 Na O6" "[(2M-2H+Na)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 199.066895 "U6H14 Cl0 37Cl N2 O3" "[(M+Cl)]- (37Cl)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 199.066895 "U6H14 Cl0 37Cl N2 O3" "[(M+Cl)]- (37Cl)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 199.066895 "U6H14 Cl0 37Cl N2 O3" "[(M+Cl)]- (37Cl)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 199.066895 "U6H14 Cl0 37Cl N2 O3" "[(M+Cl)]- (37Cl)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 199.066895 "U6H14 Cl0 37Cl N2 O3" "[(M+Cl)]- (37Cl)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 183.075112 "P92Z6W412 Na O3" "[(M-2H+Na)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 163.097411 "P92Z6W413 O2 18O" "[(M-H)]- (18O)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 163.097411 "P92Z6W413 O2 18O" "[(M-H)]- (18O)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 163.097411 "P92Z6W413 O2 18O" "[(M-H)]- (18O)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 403.134178 "U12H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 403.134178 "U12H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 403.134178 "U12H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 403.134178 "U12H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 403.134178 "U12H26 Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 145.097154 "P92Z6W413 O2" "[(M+H)-(H2O)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 145.097154 "P92Z6W413 O2" "[(M+H)-(H2O)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 145.097154 "P92Z6W413 O2" "[(M+H)-(H2O)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 145.097154 "P92Z6W413 O2" "[(M+H)-(H2O)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 297.068017 "P92Z8W415 Na2 O7" "[(M-H)+2(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 297.068017 "P92Z8W415 Na2 O7" "[(M-H)+2(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 297.068017 "P92Z8W415 Na2 O7" "[(M-H)+2(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 297.068017 "P92Z8W415 Na2 O7" "[(M-H)+2(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 297.068017 "P92Z8W415 Na2 O7" "[(M-H)+2(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 219.05179 "U6H13 Cl N2 Na O3" "[(M-H)+(NaCl)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 219.05179 "U6H13 Cl N2 Na O3" "[(M-H)+(NaCl)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 219.05179 "U6H13 Cl N2 Na O3" "[(M-H)+(NaCl)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 219.05179 "U6H13 Cl N2 Na O3" "[(M-H)+(NaCl)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 391.153997 "P94Z12W426 Na3 O6" "[(2M-2H+3Na)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 391.153997 "P94Z12W426 Na3 O6" "[(2M-2H+3Na)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 391.153997 "P94Z12W426 Na3 O6" "[(2M-2H+3Na)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 391.153997 "P94Z12W426 Na3 O6" "[(2M-2H+3Na)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 391.153997 "P94Z12W426 Na3 O6" "[(2M-2H+3Na)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 392.157352 "U1113P94ZW426 Na3 O6" "[(2M-2H+3Na)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 392.157352 "U1113P94ZW426 Na3 O6" "[(2M-2H+3Na)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 392.157352 "U1113P94ZW426 Na3 O6" "[(2M-2H+3Na)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 392.157352 "U1113P94ZW426 Na3 O6" "[(2M-2H+3Na)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 73.052215 "P92Z6W414 O2" "[(M+2H)-(H2O)]++" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 73.052215 "P92Z6W414 O2" "[(M+2H)-(H2O)]++" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 73.052215 "P92Z6W414 O2" "[(M+2H)-(H2O)]++" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 73.052215 "P92Z6W414 O2" "[(M+2H)-(H2O)]++" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 73.052215 "P92Z6W414 O2" "[(M+2H)-(H2O)]++" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 359.170288 "U12H28 Cl N4 O6" "[(2M+Cl)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 359.170288 "U12H28 Cl N4 O6" "[(2M+Cl)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 359.170288 "U12H28 Cl N4 O6" "[(2M+Cl)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 359.170288 "U12H28 Cl N4 O6" "[(2M+Cl)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 413.16298 "P94Z13W427 Na2 O8" "[(2M-2H+Na)+(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 413.16298 "P94Z13W427 Na2 O8" "[(2M-2H+Na)+(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 413.16298 "P94Z13W427 Na2 O8" "[(2M-2H+Na)+(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 413.16298 "P94Z13W427 Na2 O8" "[(2M-2H+Na)+(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 413.16298 "P94Z13W427 Na2 O8" "[(2M-2H+Na)+(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 165.111963 "P92Z6W415 O2 18O" "[(M+H)]+ (18O)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 165.111963 "P92Z6W415 O2 18O" "[(M+H)]+ (18O)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 165.111963 "P92Z6W415 O2 18O" "[(M+H)]+ (18O)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 165.111963 "P92Z6W415 O2 18O" "[(M+H)]+ (18O)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 163.107719 "P92Z6W415 O3" "[(M+H)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 163.107719 "P92Z6W415 O3" "[(M+H)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 163.107719 "P92Z6W415 O3" "[(M+H)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 163.107719 "P92Z6W415 O3" "[(M+H)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 163.107719 "P92Z6W415 O3" "[(M+H)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 207.071609 "P92Z6W413 Na2 O3" "[(M-H+2Na)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 207.071609 "P92Z6W413 Na2 O3" "[(M-H+2Na)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 207.071609 "P92Z6W413 Na2 O3" "[(M-H+2Na)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 207.071609 "P92Z6W413 Na2 O3" "[(M-H+2Na)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 134.08117 "P9Z5W412 O3" "[(M+H)-(J13LM6)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 134.08117 "P9Z5W412 O3" "[(M+H)-(J13LM6)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 134.08117 "P9Z5W412 O3" "[(M+H)-(J13LM6)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 134.08117 "P9Z5W412 O3" "[(M+H)-(J13LM6)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 549.13783 "P94Z15W429 Na4 O12" "[(2M-2H+Na)+3(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 549.13783 "P94Z15W429 Na4 O12" "[(2M-2H+Na)+3(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 549.13783 "P94Z15W429 Na4 O12" "[(2M-2H+Na)+3(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 549.13783 "P94Z15W429 Na4 O12" "[(2M-2H+Na)+3(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 549.13783 "P94Z15W429 Na4 O12" "[(2M-2H+Na)+3(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 231.084836 "P92Z7W414 Na O4 18O" "[(M-H)+(HCOONa)]- (18O)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 231.084836 "P92Z7W414 Na O4 18O" "[(M-H)+(HCOONa)]- (18O)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 231.084836 "P92Z7W414 Na O4 18O" "[(M-H)+(HCOONa)]- (18O)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 231.084836 "P92Z7W414 Na O4 18O" "[(M-H)+(HCOONa)]- (18O)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.104754 "P9Z6W415 15N O3" "[(M+H)]+ (15N)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.104754 "P9Z6W415 15N O3" "[(M+H)]+ (15N)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 230.083947 "U613P92ZW414 Na O5" "[(M-H)+(HCOONa)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 230.083947 "U613P92ZW414 Na O5" "[(M-H)+(HCOONa)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 230.083947 "U613P92ZW414 Na O5" "[(M-H)+(HCOONa)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 230.083947 "U613P92ZW414 Na O5" "[(M-H)+(HCOONa)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 230.083947 "U613P92ZW414 Na O5" "[(M-H)+(HCOONa)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 433.042867 "P92Z10W417 Na4 O11" "[(M-H)+4(HCOONa)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 433.042867 "P92Z10W417 Na4 O11" "[(M-H)+4(HCOONa)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 433.042867 "P92Z10W417 Na4 O11" "[(M-H)+4(HCOONa)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 433.042867 "P92Z10W417 Na4 O11" "[(M-H)+4(HCOONa)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 324.196965 "U1113P94ZW427 O6" "[(2M-H)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 324.196965 "U1113P94ZW427 O6" "[(2M-H)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 324.196965 "U1113P94ZW427 O6" "[(2M-H)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 324.196965 "U1113P94ZW427 O6" "[(2M-H)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 324.196965 "U1113P94ZW427 O6" "[(2M-H)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 132.06552 "P9Z5W410 O3" "[(M+H)-(J15LM6)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 132.06552 "P9Z5W410 O3" "[(M+H)-(J15LM6)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 132.06552 "P9Z5W410 O3" "[(M+H)-(J15LM6)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 132.06552 "P9Z5W410 O3" "[(M+H)-(J15LM6)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 229.080592 "P92Z7W414 Na O5" "[(M-H)+(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 229.080592 "P92Z7W414 Na O5" "[(M-H)+(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 229.080592 "P92Z7W414 Na O5" "[(M-H)+(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 229.080592 "P92Z7W414 Na O5" "[(M-H)+(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 229.080592 "P92Z7W414 Na O5" "[(M-H)+(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 323.19361 "P94Z12W427 O6" "[(2M-H)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 323.19361 "P94Z12W427 O6" "[(2M-H)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 323.19361 "P94Z12W427 O6" "[(2M-H)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 323.19361 "P94Z12W427 O6" "[(2M-H)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 346.17891 "U1113P94ZW426 Na O6" "[(2M-2H+Na)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 346.17891 "U1113P94ZW426 Na O6" "[(2M-2H+Na)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 346.17891 "U1113P94ZW426 Na O6" "[(2M-2H+Na)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 346.17891 "U1113P94ZW426 Na O6" "[(2M-2H+Na)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 346.17891 "U1113P94ZW426 Na O6" "[(2M-2H+Na)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 74.06004 "P9Z3W48 O" "[(M+H)-(C3H7O2N)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 74.06004 "P9Z3W48 O" "[(M+H)-(C3H7O2N)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 74.06004 "P9Z3W48 O" "[(M+H)-(C3H7O2N)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 74.06004 "P9Z3W48 O" "[(M+H)-(C3H7O2N)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 365.055442 "P92Z9W416 Na3 O9" "[(M-H)+3(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 365.055442 "P92Z9W416 Na3 O9" "[(M-H)+3(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 365.055442 "P92Z9W416 Na3 O9" "[(M-H)+3(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 365.055442 "P92Z9W416 Na3 O9" "[(M-H)+3(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 365.055442 "P92Z9W416 Na3 O9" "[(M-H)+3(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 531.272495 "P96Z18W441 Na2 O9" "[(3M-H+2Na)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 531.272495 "P96Z18W441 Na2 O9" "[(3M-H+2Na)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 222.052195 "U513C H13 Cl0 37Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C+37Cl)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 531.272495 "P96Z18W441 Na2 O9" "[(3M-H+2Na)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 154.047465 "P9Z5W49 Na O3" "[(M+Na)-(J15LM6)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 154.047465 "P9Z5W49 Na O3" "[(M+Na)-(J15LM6)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 154.047465 "P9Z5W49 Na O3" "[(M+Na)-(J15LM6)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 154.047465 "P9Z5W49 Na O3" "[(M+Na)-(J15LM6)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 154.047465 "P9Z5W49 Na O3" "[(M+Na)-(J15LM6)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 50.049475 "P92Z5W412 O0" "[(M+2H)-(H2O)-(HCOOH)]++" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 198.0732 "U513C H14 Cl N2 O3" "[(M+Cl)]- (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 370.175407 "U1113P94ZW427 Na2 O6" "[(2M-H+2Na)]+ (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 370.175407 "U1113P94ZW427 Na2 O6" "[(2M-H+2Na)]+ (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 370.175407 "U1113P94ZW427 Na2 O6" "[(2M-H+2Na)]+ (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 370.175407 "U1113P94ZW427 Na2 O6" "[(2M-H+2Na)]+ (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 370.175407 "U1113P94ZW427 Na2 O6" "[(2M-H+2Na)]+ (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 145.086846 "P92Z6W411 O 18O" "[(M-H)-(H2O)]- (18O)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 145.086846 "P92Z6W411 O 18O" "[(M-H)-(H2O)]- (18O)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 145.086846 "P92Z6W411 O 18O" "[(M-H)-(H2O)]- (18O)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 145.086846 "P92Z6W411 O 18O" "[(M-H)-(H2O)]- (18O)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 527.128847 "P94Z14W428 Na5 O10" "[(2M-2H+3Na)+2(HCOONa)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 527.128847 "P94Z14W428 Na5 O10" "[(2M-2H+3Na)+2(HCOONa)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 527.128847 "P94Z14W428 Na5 O10" "[(2M-2H+3Na)+2(HCOONa)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 527.128847 "P94Z14W428 Na5 O10" "[(2M-2H+3Na)+2(HCOONa)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 146.08117 "P9Z6W412 O3" "[(M+H)-(NH3)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 117.102239 "P92Z5W413 O" "[(M+H)-(HCOOH)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 117.102239 "P92Z5W413 O" "[(M+H)-(HCOOH)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 117.102239 "P92Z5W413 O" "[(M+H)-(HCOOH)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 117.102239 "P92Z5W413 O" "[(M+H)-(HCOOH)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.0574975 "P92Z6W416 O3" "[(M+2H)]++" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.0574975 "P92Z6W416 O3" "[(M+2H)]++" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.0574975 "P92Z6W416 O3" "[(M+2H)]++" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.0574975 "P92Z6W416 O3" "[(M+2H)]++" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.0574975 "P92Z6W416 O3" "[(M+2H)]++" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 553.25444 "P96Z18W440 Na3 O9" "[(3M-2H+3Na)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 553.25444 "P96Z18W440 Na3 O9" "[(3M-2H+3Na)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 553.25444 "P96Z18W440 Na3 O9" "[(3M-2H+3Na)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 553.25444 "P96Z18W440 Na3 O9" "[(3M-2H+3Na)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 575.236385 "P96Z18W439 Na4 O9" "[(3M-3H+4Na)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 575.236385 "P96Z18W439 Na4 O9" "[(3M-3H+4Na)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 575.236385 "P96Z18W439 Na4 O9" "[(3M-3H+4Na)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 575.236385 "P96Z18W439 Na4 O9" "[(3M-3H+4Na)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 575.236385 "P96Z18W439 Na4 O9" "[(3M-3H+4Na)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 168.063115 "P9Z6W411 Na O3" "[(M+Na)-(NH3)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 168.063115 "P9Z6W411 Na O3" "[(M+Na)-(NH3)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 168.063115 "P9Z6W411 Na O3" "[(M+Na)-(NH3)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 168.063115 "P9Z6W411 Na O3" "[(M+Na)-(NH3)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 144.085957 "U513P92ZW411 O2" "[(M-H)-(H2O)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 144.085957 "U513P92ZW411 O2" "[(M-H)-(H2O)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 144.085957 "U513P92ZW411 O2" "[(M-H)-(H2O)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 144.085957 "U513P92ZW411 O2" "[(M-H)-(H2O)]- (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 144.085957 "U513P92ZW411 O2" "[(M-H)-(H2O)]- (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 161.093167 "P92Z6W413 O3" "[(M-H)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 161.093167 "P92Z6W413 O3" "[(M-H)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 161.093167 "P92Z6W413 O3" "[(M-H)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 161.093167 "P92Z6W413 O3" "[(M-H)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 143.082602 "P92Z6W411 O2" "[(M-H)-(H2O)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 143.082602 "P92Z6W411 O2" "[(M-H)-(H2O)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 143.082602 "P92Z6W411 O2" "[(M-H)-(H2O)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 143.082602 "P92Z6W411 O2" "[(M-H)-(H2O)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 143.082602 "P92Z6W411 O2" "[(M-H)-(H2O)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 220.055145 "U513C H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 220.055145 "U513C H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 220.055145 "U513C H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 220.055145 "U513C H13 Cl N2 Na O3" "[(M-H)+(NaCl)]- (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 459.141422 "P94Z13W427 Na4 O8" "[(2M-2H+3Na)+(HCOONa)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 459.141422 "P94Z13W427 Na4 O8" "[(2M-2H+3Na)+(HCOONa)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 459.141422 "P94Z13W427 Na4 O8" "[(2M-2H+3Na)+(HCOONa)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 459.141422 "P94Z13W427 Na4 O8" "[(2M-2H+3Na)+(HCOONa)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 459.141422 "P94Z13W427 Na4 O8" "[(2M-2H+3Na)+(HCOONa)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 275.059034 "P92Z7W414 Na3 O5" "[(M-H+2Na)+(HCOONa)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 275.059034 "P92Z7W414 Na3 O5" "[(M-H+2Na)+(HCOONa)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 275.059034 "P92Z7W414 Na3 O5" "[(M-H+2Na)+(HCOONa)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 275.059034 "P92Z7W414 Na3 O5" "[(M-H+2Na)+(HCOONa)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 325.208162 "P94Z12W429 O6" "[(2M+H)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 325.208162 "P94Z12W429 O6" "[(2M+H)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 325.208162 "P94Z12W429 O6" "[(2M+H)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 325.208162 "P94Z12W429 O6" "[(2M+H)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 325.208162 "P94Z12W429 O6" "[(2M+H)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.096522 "U513P92ZW413 O3" "[(M-H)]- (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.096522 "U513P92ZW413 O3" "[(M-H)]- (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.096522 "U513P92ZW413 O3" "[(M-H)]- (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.096522 "U513P92ZW413 O3" "[(M-H)]- (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.559175 "U513P92ZW416 O3" "[(M+2H)]++ (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.559175 "U513P92ZW416 O3" "[(M+2H)]++ (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.559175 "U513P92ZW416 O3" "[(M+2H)]++ (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.559175 "U513P92ZW416 O3" "[(M+2H)]++ (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.559175 "U513P92ZW416 O3" "[(M+2H)]++ (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 76.07569 "P9Z3W410 O" "[(M+H)-(J15L3M6O2)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 76.07569 "P9Z3W410 O" "[(M+H)-(J15L3M6O2)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 76.07569 "P9Z3W410 O" "[(M+H)-(J15L3M6O2)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 76.07569 "P9Z3W410 O" "[(M+H)-(J15L3M6O2)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 89.079045 "U313P9ZW410 O" "[(M+H)-(J15L2M6O2)]+ (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 89.079045 "U313P9ZW410 O" "[(M+H)-(J15L2M6O2)]+ (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 89.079045 "U313P9ZW410 O" "[(M+H)-(J15L2M6O2)]+ (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 89.079045 "U313P9ZW410 O" "[(M+H)-(J15L2M6O2)]+ (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 89.079045 "U313P9ZW410 O" "[(M+H)-(J15L2M6O2)]+ (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.111074 "U513P92ZW415 O3" "[(M+H)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.111074 "U513P92ZW415 O3" "[(M+H)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.111074 "U513P92ZW415 O3" "[(M+H)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 164.111074 "U513P92ZW415 O3" "[(M+H)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.556015 "P9Z6W416 15N O3" "[(M+2H)]++ (15N)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.556015 "P9Z6W416 15N O3" "[(M+2H)]++ (15N)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.556015 "P9Z6W416 15N O3" "[(M+2H)]++ (15N)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.556015 "P9Z6W416 15N O3" "[(M+2H)]++ (15N)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 82.556015 "P9Z6W416 15N O3" "[(M+2H)]++ (15N)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 88.07569 "P9Z4W410 O" "[(M+H)-(J15L2M6O2)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 88.07569 "P9Z4W410 O" "[(M+H)-(J15L2M6O2)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 88.07569 "P9Z4W410 O" "[(M+H)-(J15L2M6O2)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 88.07569 "P9Z4W410 O" "[(M+H)-(J15L2M6O2)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 100.07569 "P9Z5W410 O" "[(M+H)-(NH3)-(HCOOH)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 100.07569 "P9Z5W410 O" "[(M+H)-(NH3)-(HCOOH)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 100.07569 "P9Z5W410 O" "[(M+H)-(NH3)-(HCOOH)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 100.07569 "P9Z5W410 O" "[(M+H)-(NH3)-(HCOOH)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 100.07569 "P9Z5W410 O" "[(M+H)-(NH3)-(HCOOH)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 326.211517 "U1113P94ZW429 O6" "[(2M+H)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 326.211517 "U1113P94ZW429 O6" "[(2M+H)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 326.211517 "U1113P94ZW429 O6" "[(2M+H)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 326.211517 "U1113P94ZW429 O6" "[(2M+H)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 99.091674 "P92Z5W411 O0" "[(M+H)-(H2O)-(HCOOH)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 99.091674 "P92Z5W411 O0" "[(M+H)-(H2O)-(HCOOH)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 99.091674 "P92Z5W411 O0" "[(M+H)-(H2O)-(HCOOH)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 99.091674 "P92Z5W411 O0" "[(M+H)-(H2O)-(HCOOH)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 99.091674 "P92Z5W411 O0" "[(M+H)-(H2O)-(HCOOH)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 127.086589 "P92Z6W411 O" "[(M+H)-2(H2O)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 127.086589 "P92Z6W411 O" "[(M+H)-2(H2O)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 127.086589 "P92Z6W411 O" "[(M+H)-2(H2O)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 127.086589 "P92Z6W411 O" "[(M+H)-2(H2O)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 481.150405 "P94Z14W428 Na3 O10" "[(2M-2H+Na)+2(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 481.150405 "P94Z14W428 Na3 O10" "[(2M-2H+Na)+2(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 481.150405 "P94Z14W428 Na3 O10" "[(2M-2H+Na)+2(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 481.150405 "P94Z14W428 Na3 O10" "[(2M-2H+Na)+2(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 481.150405 "P94Z14W428 Na3 O10" "[(2M-2H+Na)+2(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 434.046222 "U913P92ZW417 Na4 O11" "[(M-H)+4(HCOONa)]- (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 434.046222 "U913P92ZW417 Na4 O11" "[(M-H)+4(HCOONa)]- (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 434.046222 "U913P92ZW417 Na4 O11" "[(M-H)+4(HCOONa)]- (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 434.046222 "U913P92ZW417 Na4 O11" "[(M-H)+4(HCOONa)]- (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.556435 "U413P92ZW414 O" "[(M+2H)-(HCOOH)]++ (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.556435 "U413P92ZW414 O" "[(M+2H)-(HCOOH)]++ (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.556435 "U413P92ZW414 O" "[(M+2H)-(HCOOH)]++ (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.556435 "U413P92ZW414 O" "[(M+2H)-(HCOOH)]++ (13C)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.556435 "U413P92ZW414 O" "[(M+2H)-(HCOOH)]++ (13C)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.0547575 "P92Z5W414 O" "[(M+2H)-(HCOOH)]++" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.0547575 "P92Z5W414 O" "[(M+2H)-(HCOOH)]++" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.0547575 "P92Z5W414 O" "[(M+2H)-(HCOOH)]++" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 59.0547575 "P92Z5W414 O" "[(M+2H)-(HCOOH)]++" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 265.030232 "U6H13 Cl N2 Na3 O3" "[(M-H+2Na)+(NaCl)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 265.030232 "U6H13 Cl N2 Na3 O3" "[(M-H+2Na)+(NaCl)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 265.030232 "U6H13 Cl N2 Na3 O3" "[(M-H+2Na)+(NaCl)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 265.030232 "U6H13 Cl N2 Na3 O3" "[(M-H+2Na)+(NaCl)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 265.030232 "U6H13 Cl N2 Na3 O3" "[(M-H+2Na)+(NaCl)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 369.172052 "P94Z12W427 Na2 O6" "[(2M-H+2Na)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 369.172052 "P94Z12W427 Na2 O6" "[(2M-H+2Na)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 369.172052 "P94Z12W427 Na2 O6" "[(2M-H+2Na)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 369.172052 "P94Z12W427 Na2 O6" "[(2M-H+2Na)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 501.030292 "P92Z11W418 Na5 O13" "[(M-H)+5(HCOONa)]-" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 501.030292 "P92Z11W418 Na5 O13" "[(M-H)+5(HCOONa)]-" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 501.030292 "P92Z11W418 Na5 O13" "[(M-H)+5(HCOONa)]-" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 501.030292 "P92Z11W418 Na5 O13" "[(M-H)+5(HCOONa)]-" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 501.030292 "P92Z11W418 Na5 O13" "[(M-H)+5(HCOONa)]-" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 569.017717 "P92Z12W419 Na6 O15" "[(M-H)+6(HCOONa)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 569.017717 "P92Z12W419 Na6 O15" "[(M-H)+6(HCOONa)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 569.017717 "P92Z12W419 Na6 O15" "[(M-H)+6(HCOONa)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 569.017717 "P92Z12W419 Na6 O15" "[(M-H)+6(HCOONa)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 405.131228 "U12H26 Cl0 37Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 405.131228 "U12H26 Cl0 37Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 405.131228 "U12H26 Cl0 37Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 405.131228 "U12H26 Cl0 37Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 405.131228 "U12H26 Cl0 37Cl N4 Na2 O6" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 208.074964 "U513P92ZW413 Na2 O3" "[(M-H+2Na)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 208.074964 "U513P92ZW413 Na2 O3" "[(M-H+2Na)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 208.074964 "U513P92ZW413 Na2 O3" "[(M-H+2Na)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 208.074964 "U513P92ZW413 Na2 O3" "[(M-H+2Na)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 197.1014315 "P94Z13W431 Na O8" "[(2M+2H)+(HCOONa)]++" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 197.1014315 "P94Z13W431 Na O8" "[(2M+2H)+(HCOONa)]++" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 197.1014315 "P94Z13W431 Na O8" "[(2M+2H)+(HCOONa)]++" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 197.1014315 "P94Z13W431 Na O8" "[(2M+2H)+(HCOONa)]++" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 197.069845 "U6H14 Cl N2 O3" "[(M+Cl)]-" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 197.069845 "U6H14 Cl N2 O3" "[(M+Cl)]-" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 197.069845 "U6H14 Cl N2 O3" "[(M+Cl)]-" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 197.069845 "U6H14 Cl N2 O3" "[(M+Cl)]-" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 129.07396 "U513P9ZW410 O2" "[(M+H)-(H2O)-(NH3)]+ (13C)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 129.07396 "U513P9ZW410 O2" "[(M+H)-(H2O)-(NH3)]+ (13C)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 129.07396 "U513P9ZW410 O2" "[(M+H)-(H2O)-(NH3)]+ (13C)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 129.07396 "U513P9ZW410 O2" "[(M+H)-(H2O)-(NH3)]+ (13C)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 198.0732 "U513C H14 Cl N2 O3" "[(M+Cl)]- (13C)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 198.0732 "U513C H14 Cl N2 O3" "[(M+Cl)]- (13C)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 198.0732 "U513C H14 Cl N2 O3" "[(M+Cl)]- (13C)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 387.010349 "P92Z8W413 Na6 O7" "[(M-3H+4Na)+2(HCOONa)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 387.010349 "P92Z8W413 Na6 O7" "[(M-3H+4Na)+2(HCOONa)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 343.046459 "P92Z8W415 Na4 O7" "[(M-H+2Na)+2(HCOONa)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 343.046459 "P92Z8W415 Na4 O7" "[(M-H+2Na)+2(HCOONa)]+" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 343.046459 "P92Z8W415 Na4 O7" "[(M-H+2Na)+2(HCOONa)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 343.046459 "P92Z8W415 Na4 O7" "[(M-H+2Na)+2(HCOONa)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 343.046459 "P92Z8W415 Na4 O7" "[(M-H+2Na)+2(HCOONa)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 185.089664 "P92Z6W414 Na O3" "[(M+Na)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 185.089664 "P92Z6W414 Na O3" "[(M+Na)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.090202 "P9Z6W413 15N O3" "[(M-H)]- (15N)" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.090202 "P9Z6W413 15N O3" "[(M-H)]- (15N)" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.090202 "P9Z6W413 15N O3" "[(M-H)]- (15N)" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "NEG" 162.090202 "P9Z6W413 15N O3" "[(M-H)]- (15N)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 128.070605 "P9Z6W410 O2" "[(M+H)-(H2O)-(NH3)]+" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 527.128847 "P94Z14W428 Na5 O10" "[(2M-2H+3Na)+2(HCOONa)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 128.070605 "P9Z6W410 O2" "[(M+H)-(H2O)-(NH3)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 128.070605 "P9Z6W410 O2" "[(M+H)-(H2O)-(NH3)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 128.070605 "P9Z6W410 O2" "[(M+H)-(H2O)-(NH3)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 387.010349 "P92Z8W413 Na6 O7" "[(M-3H+4Na)+2(HCOONa)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 387.010349 "P92Z8W413 Na6 O7" "[(M-3H+4Na)+2(HCOONa)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 197.1014315 "P94Z13W431 Na O8" "[(2M+2H)+(HCOONa)]++" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 167.079099 "P92Z6W412 Na O2" "[(M+Na)-(H2O)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 185.089664 "P92Z6W414 Na O3" "[(M+Na)]+" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 185.089664 "P92Z6W414 Na O3" "[(M+Na)]+" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 185.089664 "P92Z6W414 Na O3" "[(M+Na)]+" "somecol" 8.335 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 167.079099 "P92Z6W412 Na O2" "[(M+Na)-(H2O)]+" "colAA" 1.56 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 167.079099 "P92Z6W412 Na O2" "[(M+Na)-(H2O)]+" "colzz2" 3.83 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 167.079099 "P92Z6W412 Na O2" "[(M+Na)-(H2O)]+" "colzz3" 4.64 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 83.0608525 "U413P92Z2W416 O3" "[(M+2H)]++ (13C2)" "colzz" 3.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 83.0608525 "U413P92Z2W416 O3" "[(M+2H)]++ (13C2)" "hcoltt" 0.9 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 83.0608525 "U413P92Z2W416 O3" "[(M+2H)]++ (13C2)" "col12" 0.8 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 83.0608525 "U413P92Z2W416 O3" "[(M+2H)]++ (13C2)" "colzz3" 4.21 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 83.0608525 "U413P92Z2W416 O3" "[(M+2H)]++ (13C2)" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" P5 "POS" 189.061044 "P92Z6W411 Na2 O2" "[(M-H+2Na)-(H2O)]+" "colpp" 0.79 "J114L6M62O3" 162.10044 "Abracadabrine" A103 "POS" 78.079934 "P9Z3W410 O0 18O" "[(M+H)]+ (18O)" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 104.10699 "P9Z5W414 O" "[(2M+H)-(J15LM6O)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 104.10699 "P9Z5W414 O" "[(2M+H)-(J15LM6O)]+" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 59.07295 "P9Z3W49 O0" "[(M+H)-(OH•)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 104.10699 "P9Z5W414 O" "[(2M+H)-(J15LM6O)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 78.079934 "P9Z3W410 O0 18O" "[(M+H)]+ (18O)" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 78.079934 "P9Z3W410 O0 18O" "[(M+H)]+ (18O)" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 153.148348 "P92Z6W419 O 18O" "[(2M+H)]+ (18O)" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 153.148348 "P92Z6W419 O 18O" "[(2M+H)]+ (18O)" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 153.148348 "P92Z6W419 O 18O" "[(2M+H)]+ (18O)" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 173.126049 "P92Z6W418 Na O2" "[(2M+Na)]+" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 78.079934 "P9Z3W410 O0 18O" "[(M+H)]+ (18O)" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 173.126049 "P92Z6W418 Na O2" "[(2M+Na)]+" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 77.079045 "U213P9ZW410 O" "[(M+H)]+ (13C)" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 77.079045 "U213P9ZW410 O" "[(M+H)]+ (13C)" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 153.148348 "P92Z6W419 O 18O" "[(2M+H)]+ (18O)" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 59.06848 "U213P9ZW48 O0" "[(M+H)-(H2O)]+ (13C)" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 173.126049 "P92Z6W418 Na O2" "[(2M+Na)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 59.06848 "U213P9ZW48 O0" "[(M+H)-(H2O)]+ (13C)" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 75.063395 "U213P9ZW48 O" "[(2M+H)-(J19L3M6)-(H2O)]+ (13C)" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 75.063395 "U213P9ZW48 O" "[(2M+H)-(J19L3M6)-(H2O)]+ (13C)" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 75.063395 "U213P9ZW48 O" "[(2M+H)-(J19L3M6)-(H2O)]+ (13C)" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 59.07295 "P9Z3W49 O0" "[(M+H)-(OH•)]+" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 152.147459 "U513P92ZW419 O2" "[(2M+H)]+ (13C)" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 152.147459 "U513P92ZW419 O2" "[(2M+H)]+ (13C)" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 152.147459 "U513P92ZW419 O2" "[(2M+H)]+ (13C)" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 60.04439 "P9Z2W46 O" "[(M+H)-(CH4)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 60.04439 "P9Z2W46 O" "[(M+H)-(CH4)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 60.04439 "P9Z2W46 O" "[(M+H)-(CH4)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 76.07569 "P9Z3W410 O" "[(M+H)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 76.07569 "P9Z3W410 O" "[(M+H)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 76.07569 "P9Z3W410 O" "[(M+H)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 174.129404 "U513P92ZW418 Na O2" "[(2M+Na)]+ (13C)" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 174.129404 "U513P92ZW418 Na O2" "[(2M+Na)]+ (13C)" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 77.072725 "P90Z3W410 15N O" "[(M+H)]+ (15N)" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 77.072725 "P90Z3W410 15N O" "[(M+H)]+ (15N)" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 77.072725 "P90Z3W410 15N O" "[(M+H)]+ (15N)" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 59.06848 "U213P9ZW48 O0" "[(M+H)-(H2O)]+ (13C)" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 74.06004 "P9Z3W48 O" "[(2M+H)-(J19L3M6)-(H2O)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 74.06004 "P9Z3W48 O" "[(2M+H)-(J19L3M6)-(H2O)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 98.057635 "P9Z3W49 Na O" "[(M+Na)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 98.057635 "P9Z3W49 Na O" "[(M+Na)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 98.057635 "P9Z3W49 Na O" "[(M+Na)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 151.144104 "P92Z6W419 O2" "[(2M+H)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 92.070605 "P9Z3W410 O2" "[(2M+H)-(J19L3M6)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 92.070605 "P9Z3W410 O2" "[(2M+H)-(J19L3M6)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 92.070605 "P9Z3W410 O2" "[(2M+H)-(J19L3M6)]+" "col12" 0.89 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 99.05467 "P90Z3W49 15N Na O" "[(M+Na)]+ (15N)" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 99.05467 "P90Z3W49 15N Na O" "[(M+Na)]+ (15N)" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 58.065125 "P9Z3W48 O0" "[(M+H)-(H2O)]+" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 58.065125 "P9Z3W48 O0" "[(M+H)-(H2O)]+" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 58.065125 "P9Z3W48 O0" "[(M+H)-(H2O)]+" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 99.05467 "P90Z3W49 15N Na O" "[(M+Na)]+ (15N)" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 99.05467 "P90Z3W49 15N Na O" "[(M+Na)]+ (15N)" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 115.122974 "P92Z6W415 O0" "[(2M+H)-2(H2O)]+" "colpp" 1.13 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 151.144104 "P92Z6W419 O2" "[(2M+H)]+" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 151.144104 "P92Z6W419 O2" "[(2M+H)]+" "colzz3" 5.14 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 115.122974 "P92Z6W415 O0" "[(2M+H)-2(H2O)]+" "colzz2" 5.03 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 115.122974 "P92Z6W415 O0" "[(2M+H)-2(H2O)]+" "hcoltt" 1 "J19L3M6O" 75.06841 "6-α-jusdecarotine" A103 "POS" 74.06004 "P9Z3W48 O" "[(2M+H)-(J19L3M6)-(H2O)]+" "colzz" 8.75 "J19L3M6O" 75.06841 "6-α-jusdecarotine" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "colAA" 10.94 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "hcoltt" 5 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 435.256283 "P92Z18W438 Na O7 18O" "[(2M+Na)]+ (18O)" "colzz3" 2.29 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 435.256283 "P92Z18W438 Na O7 18O" "[(2M+Na)]+ (18O)" "col12" 4.72 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 435.256283 "P92Z18W438 Na O7 18O" "[(2M+Na)]+ (18O)" "somecol" 2.56 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 205.127488 "U813P9ZW418 O4" "[(M-H)]- (13C)" "colAA" 10.94 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 229.123985 "U813P9ZW419 Na O4" "[(M+Na)]+ (13C)" "somecol" 2.56 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 435.256283 "P92Z18W438 Na O7 18O" "[(2M+Na)]+ (18O)" "colAA" 10.94 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "colzz2" 4.34 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "colzz3" 3.92 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "colpp" 2.47 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 251.132968 "U913P9ZW420 O6" "[(M-H)+(HCOOH)]- (13C)" "hcoltt" 5 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 251.132968 "U913P9ZW420 O6" "[(M-H)+(HCOOH)]- (13C)" "colzz" 11.02 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 251.132968 "U913P9ZW420 O6" "[(M-H)+(HCOOH)]- (13C)" "colzz3" 2.29 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 250.129613 "P9Z10W420 O6" "[(M-H)+(HCOOH)]-" "colzz" 11.02 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 251.132968 "U913P9ZW420 O6" "[(M-H)+(HCOOH)]- (13C)" "somecol" 2.56 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 204.124133 "P9Z9W418 O4" "[(M-H)]-" "colAA" 10.94 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 204.124133 "P9Z9W418 O4" "[(M-H)]-" "colzz2" 4.34 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"POS" 228.12063 "P9Z9W419 Na O4" "[(M+Na)]+" "col12" 4.72 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 228.12063 "P9Z9W419 Na O4" "[(M+Na)]+" "somecol" 2.56 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 205.127488 "U813P9ZW418 O4" "[(M-H)]- (13C)" "col12" 4.72 "J119L9M6O4" 205.13141 "Canapenol" T1078 "NEG" 205.127488 "U813P9ZW418 O4" "[(M-H)]- (13C)" "somecol" 2.56 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 228.12063 "P9Z9W419 Na O4" "[(M+Na)]+" "colAA" 10.94 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 434.255394 "U1713P92ZW438 Na O8" "[(2M+Na)]+ (13C)" "colpp" 2.47 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 230.124874 "P9Z9W419 Na O3 18O" "[(M+Na)]+ (18O)" "hcoltt" 5 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 230.124874 "P9Z9W419 Na O3 18O" "[(M+Na)]+ (18O)" "colzz" 11.02 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 434.255394 "U1713P92ZW438 Na O8" "[(2M+Na)]+ (13C)" "colzz3" 2.29 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 434.255394 "U1713P92ZW438 Na O8" "[(2M+Na)]+ (13C)" "colzz" 11.02 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(C5H12O2)]+" "colzz3" 3.92 "J119L9M6O4" 205.13141 "Canapenol" T1078 "POS" 208.142929 "P9Z9W420 O3 18O" "[(M+H)]+ (18O)" "colzz2" 4.34 "J119L9M6O4" 205.13141 "Canapenol" J89 "NEG" 279.132627 "P92Z12W420 Na O4" "[(2M-2H+Na)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 279.132627 "P92Z12W420 Na O4" "[(2M-2H+Na)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 279.132627 "P92Z12W420 Na O4" "[(2M-2H+Na)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 279.132627 "P92Z12W420 Na O4" "[(2M-2H+Na)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 259.165234 "P92Z12W423 O4" "[(2M+H)]+" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 259.165234 "P92Z12W423 O4" "[(2M+H)]+" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 259.165234 "P92Z12W423 O4" "[(2M+H)]+" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "colzz3" 3.76 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 339.0883 "U12H20 Cl0 37Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 415.107477 "P92Z14W422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]-" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 339.0883 "U12H20 Cl0 37Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 339.0883 "U12H20 Cl0 37Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 339.0883 "U12H20 Cl0 37Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 133.093854 "U513P9ZW412 O 18O" "[(M+H)]+ (13C) (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 133.093854 "U513P9ZW412 O 18O" "[(M+H)]+ (13C) (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 133.093854 "U513P9ZW412 O 18O" "[(M+H)]+ (13C) (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 133.093854 "U513P9ZW412 O 18O" "[(M+H)]+ (13C) (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 133.093854 "U513P9ZW412 O 18O" "[(M+H)]+ (13C) (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 175.080538 "U613P9ZW412 O4" "[(M-H)+(HCOOH)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 175.080538 "U613P9ZW412 O4" "[(M-H)+(HCOOH)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 175.080538 "U613P9ZW412 O4" "[(M-H)+(HCOOH)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 175.080538 "U613P9ZW412 O4" "[(M-H)+(HCOOH)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 175.080538 "U613P9ZW412 O4" "[(M-H)+(HCOOH)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 430.193551 "P93Z18W430 Na2 O6" "[(3M-3H+2Na)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 430.193551 "P93Z18W430 Na2 O6" "[(3M-3H+2Na)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 430.193551 "P93Z18W430 Na2 O6" "[(3M-3H+2Na)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 430.193551 "P93Z18W430 Na2 O6" "[(3M-3H+2Na)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 430.193551 "P93Z18W430 Na2 O6" "[(3M-3H+2Na)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 278.120332 "U1113P92ZW418 Na O4" "[(2M-2H+Na)-(H2)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 278.120332 "U1113P92ZW418 Na O4" "[(2M-2H+Na)-(H2)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 278.120332 "U1113P92ZW418 Na O4" "[(2M-2H+Na)-(H2)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 278.120332 "U1113P92ZW418 Na O4" "[(2M-2H+Na)-(H2)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 278.120332 "U1113P92ZW418 Na O4" "[(2M-2H+Na)-(H2)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 499.184331 "U1813P93ZW431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 499.184331 "U1813P93ZW431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 499.184331 "U1813P93ZW431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 499.184331 "U1813P93ZW431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 499.184331 "U1813P93ZW431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(HCOOH)]+ (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(HCOOH)]+ (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(HCOOH)]+ (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(HCOOH)]+ (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(HCOOH)]+ (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 411.229513 "U1713P93ZW433 Na O6" "[(3M+Na)]+ (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 411.229513 "U1713P93ZW433 Na O6" "[(3M+Na)]+ (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 411.229513 "U1713P93ZW433 Na O6" "[(3M+Na)]+ (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 411.229513 "U1713P93ZW433 Na O6" "[(3M+Na)]+ (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 411.229513 "U1713P93ZW433 Na O6" "[(3M+Na)]+ (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 337.09125 "U12H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 337.09125 "U12H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 337.09125 "U12H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 337.09125 "U12H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 337.09125 "U12H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 197.062483 "U613P9ZW411 Na O4" "[(M-H)+(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 197.062483 "U613P9ZW411 Na O4" "[(M-H)+(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 197.062483 "U613P9ZW411 Na O4" "[(M-H)+(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 197.062483 "U613P9ZW411 Na O4" "[(M-H)+(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 197.062483 "U613P9ZW411 Na O4" "[(M-H)+(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 488.152174 "U18H30 Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 488.152174 "U18H30 Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 488.152174 "U18H30 Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 488.152174 "U18H30 Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 488.152174 "U18H30 Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 198.063372 "P9Z7W411 Na O3 18O" "[(M-H)+(HCOONa)]- (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 198.063372 "P9Z7W411 Na O3 18O" "[(M-H)+(HCOONa)]- (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 198.063372 "P9Z7W411 Na O3 18O" "[(M-H)+(HCOONa)]- (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 198.063372 "P9Z7W411 Na O3 18O" "[(M-H)+(HCOONa)]- (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 198.063372 "P9Z7W411 Na O3 18O" "[(M-H)+(HCOONa)]- (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 259.154926 "P92Z12W421 O3 18O" "[(2M-H)]- (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 259.154926 "P92Z12W421 O3 18O" "[(2M-H)]- (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 259.154926 "P92Z12W421 O3 18O" "[(2M-H)]- (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 259.154926 "P92Z12W421 O3 18O" "[(2M-H)]- (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 259.154926 "P92Z12W421 O3 18O" "[(2M-H)]- (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.068738 "P90Z6W410 15N O2" "[(M-H)]- (15N)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.068738 "P90Z6W410 15N O2" "[(M-H)]- (15N)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.068738 "P90Z6W410 15N O2" "[(M-H)]- (15N)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.068738 "P90Z6W410 15N O2" "[(M-H)]- (15N)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.068738 "P90Z6W410 15N O2" "[(M-H)]- (15N)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 196.059128 "P9Z7W411 Na O4" "[(M-H)+(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 196.059128 "P9Z7W411 Na O4" "[(M-H)+(HCOONa)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 196.059128 "P9Z7W411 Na O4" "[(M-H)+(HCOONa)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 196.059128 "P9Z7W411 Na O4" "[(M-H)+(HCOONa)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 196.059128 "P9Z7W411 Na O4" "[(M-H)+(HCOONa)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.033681 "U513C H10 Cl N Na O2" "[(M-H)+(NaCl)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.033681 "U513C H10 Cl N Na O2" "[(M-H)+(NaCl)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.033681 "U513C H10 Cl N Na O2" "[(M-H)+(NaCl)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.033681 "U513C H10 Cl N Na O2" "[(M-H)+(NaCl)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.033681 "U513C H10 Cl N Na O2" "[(M-H)+(NaCl)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 277.116977 "P92Z12W418 Na O4" "[(2M-2H+Na)-(H2)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 277.116977 "P92Z12W418 Na O4" "[(2M-2H+Na)-(H2)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 277.116977 "P92Z12W418 Na O4" "[(2M-2H+Na)-(H2)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 277.116977 "P92Z12W418 Na O4" "[(2M-2H+Na)-(H2)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 277.116977 "P92Z12W418 Na O4" "[(2M-2H+Na)-(H2)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 484.098257 "U1413P92ZW423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 484.098257 "U1413P92ZW423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 484.098257 "U1413P92ZW423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 484.098257 "U1413P92ZW423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 484.098257 "U1413P92ZW423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 264.046553 "P9Z8W412 Na2 O6" "[(M-H)+2(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 264.046553 "P9Z8W412 Na2 O6" "[(M-H)+2(HCOONa)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 264.046553 "P9Z8W412 Na2 O6" "[(M-H)+2(HCOONa)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 264.046553 "P9Z8W412 Na2 O6" "[(M-H)+2(HCOONa)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 264.046553 "P9Z8W412 Na2 O6" "[(M-H)+2(HCOONa)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 410.226158 "P93Z18W433 Na O6" "[(3M+Na)]+" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08329 "P90Z6W412 15N O2" "[(M+H)]+ (15N)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08329 "P90Z6W412 15N O2" "[(M+H)]+ (15N)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08329 "P90Z6W412 15N O2" "[(M+H)]+ (15N)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08329 "P90Z6W412 15N O2" "[(M+H)]+ (15N)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 128.071703 "P9Z6W410 O2" "[(M-H)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 128.071703 "P9Z6W410 O2" "[(M-H)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 128.071703 "P9Z6W410 O2" "[(M-H)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 128.071703 "P9Z6W410 O2" "[(M-H)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 128.071703 "P9Z6W410 O2" "[(M-H)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 258.154037 "U1113P92ZW421 O4" "[(2M-H)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 258.154037 "U1113P92ZW421 O4" "[(2M-H)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 258.154037 "U1113P92ZW421 O4" "[(2M-H)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 258.154037 "U1113P92ZW421 O4" "[(2M-H)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 258.154037 "U1113P92ZW421 O4" "[(2M-H)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 483.094902 "P92Z15W423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 279.132627 "P92Z12W420 Na O4" "[(2M-2H+Na)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 498.180976 "P93Z19W431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 498.180976 "P93Z19W431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 498.180976 "P93Z19W431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 498.180976 "P93Z19W431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 498.180976 "P93Z19W431 Na3 O8" "[(3M-3H+2Na)+(HCOONa)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 347.120052 "P92Z13W421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 347.120052 "P92Z13W421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 347.120052 "P92Z13W421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 347.120052 "P92Z13W421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 347.120052 "P92Z13W421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 431.196906 "U1713P93ZW430 Na2 O6" "[(3M-3H+2Na)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 431.196906 "U1713P93ZW430 Na2 O6" "[(3M-3H+2Na)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 431.196906 "U1713P93ZW430 Na2 O6" "[(3M-3H+2Na)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 431.196906 "U1713P93ZW430 Na2 O6" "[(3M-3H+2Na)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 431.196906 "U1713P93ZW430 Na2 O6" "[(3M-3H+2Na)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 333.037333 "U813P9ZW413 Na3 O8" "[(M-H)+3(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 333.037333 "U813P9ZW413 Na3 O8" "[(M-H)+3(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 333.037333 "U813P9ZW413 Na3 O8" "[(M-H)+3(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 333.037333 "U813P9ZW413 Na3 O8" "[(M-H)+3(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 333.037333 "U813P9ZW413 Na3 O8" "[(M-H)+3(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 130.075947 "P9Z6W410 O 18O" "[(M-H)]- (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 130.075947 "P9Z6W410 O 18O" "[(M-H)]- (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 130.075947 "P9Z6W410 O 18O" "[(M-H)]- (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 130.075947 "P9Z6W410 O 18O" "[(M-H)]- (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 130.075947 "P9Z6W410 O 18O" "[(M-H)]- (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.092965 "U413P9Z2W412 O2" "[(M+H)]+ (13C2)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.092965 "U413P9Z2W412 O2" "[(M+H)]+ (13C2)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.092965 "U413P9Z2W412 O2" "[(M+H)]+ (13C2)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.092965 "U413P9Z2W412 O2" "[(M+H)]+ (13C2)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.092965 "U413P9Z2W412 O2" "[(M+H)]+ (13C2)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 260.168589 "U1113P92ZW423 O4" "[(2M+H)]+ (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 260.168589 "U1113P92ZW423 O4" "[(2M+H)]+ (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 260.168589 "U1113P92ZW423 O4" "[(2M+H)]+ (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 260.168589 "U1113P92ZW423 O4" "[(2M+H)]+ (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 260.168589 "U1113P92ZW423 O4" "[(2M+H)]+ (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 416.110832 "U1313P92ZW422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 416.110832 "U1313P92ZW422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 416.110832 "U1313P92ZW422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 416.110832 "U1313P92ZW422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 416.110832 "U1313P92ZW422 Na3 O8" "[(2M-2H+Na)+2(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 174.077183 "P9Z7W412 O4" "[(M-H)+(HCOOH)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 174.077183 "P9Z7W412 O4" "[(M-H)+(HCOOH)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 174.077183 "P9Z7W412 O4" "[(M-H)+(HCOOH)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 174.077183 "P9Z7W412 O4" "[(M-H)+(HCOOH)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 174.077183 "P9Z7W412 O4" "[(M-H)+(HCOOH)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 490.149224 "U18H30 Cl0 37Cl N3 Na3 O6" "[(3M-3H+2Na)+(NaCl)]- (37Cl)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 257.150682 "P92Z12W421 O4" "[(2M-H)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 186.030326 "U6H10 Cl N Na O2" "[(M-H)+(NaCl)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 186.030326 "U6H10 Cl N Na O2" "[(M-H)+(NaCl)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 186.030326 "U6H10 Cl N Na O2" "[(M-H)+(NaCl)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 186.030326 "U6H10 Cl N Na O2" "[(M-H)+(NaCl)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 186.030326 "U6H10 Cl N Na O2" "[(M-H)+(NaCl)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 280.135982 "U1113P92ZW420 Na O4" "[(2M-2H+Na)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 280.135982 "U1113P92ZW420 Na O4" "[(2M-2H+Na)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 280.135982 "U1113P92ZW420 Na O4" "[(2M-2H+Na)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 280.135982 "U1113P92ZW420 Na O4" "[(2M-2H+Na)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 280.135982 "U1113P92ZW420 Na O4" "[(2M-2H+Na)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 266.050797 "P9Z8W412 Na2 O5 18O" "[(M-H)+2(HCOONa)]- (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 266.050797 "P9Z8W412 Na2 O5 18O" "[(M-H)+2(HCOONa)]- (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 266.050797 "P9Z8W412 Na2 O5 18O" "[(M-H)+2(HCOONa)]- (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 339.0883 "U12H20 Cl0 37Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (37Cl)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 266.050797 "P9Z8W412 Na2 O5 18O" "[(M-H)+2(HCOONa)]- (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 188.027376 "U6H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (37Cl)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 188.027376 "U6H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (37Cl)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 188.027376 "U6H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (37Cl)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 188.027376 "U6H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (37Cl)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 188.027376 "U6H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (37Cl)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 265.049908 "U713P9ZW412 Na2 O6" "[(M-H)+2(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 265.049908 "U713P9ZW412 Na2 O6" "[(M-H)+2(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 265.049908 "U713P9ZW412 Na2 O6" "[(M-H)+2(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 265.049908 "U713P9ZW412 Na2 O6" "[(M-H)+2(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 265.049908 "U713P9ZW412 Na2 O6" "[(M-H)+2(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.075058 "U513P9ZW410 O2" "[(M-H)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.075058 "U513P9ZW410 O2" "[(M-H)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.075058 "U513P9ZW410 O2" "[(M-H)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.075058 "U513P9ZW410 O2" "[(M-H)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 129.075058 "U513P9ZW410 O2" "[(M-H)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 348.123407 "U1213P92ZW421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 348.123407 "U1213P92ZW421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 348.123407 "U1213P92ZW421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 348.123407 "U1213P92ZW421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 348.123407 "U1213P92ZW421 Na2 O6" "[(2M-2H+Na)+(HCOONa)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 189.030731 "U513C H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (13C) (37Cl)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 189.030731 "U513C H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (13C) (37Cl)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 189.030731 "U513C H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (13C) (37Cl)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 189.030731 "U513C H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (13C) (37Cl)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 189.030731 "U513C H10 Cl0 37Cl N Na O2" "[(M-H)+(NaCl)]- (13C) (37Cl)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 338.094605 "U1113C H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 338.094605 "U1113C H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)]+" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)]+" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)]+" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)]+" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)]+" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(HCOOH)]+" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(HCOOH)]+" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(HCOOH)]+" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(HCOOH)]+" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(HCOOH)]+" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 187.027361 "U6H10 Cl N0 15N Na O2" "[(M-H)+(NaCl)]- (15N)" "colpp" 0.93 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.090499 "P9Z6W412 O 18O" "[(M+H)]+ (18O)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.090499 "P9Z6W412 O 18O" "[(M+H)]+ (18O)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.090499 "P9Z6W412 O 18O" "[(M+H)]+ (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.090499 "P9Z6W412 O 18O" "[(M+H)]+ (18O)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 257.150682 "P92Z12W421 O4" "[(2M-H)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 257.150682 "P92Z12W421 O4" "[(2M-H)]-" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 257.150682 "P92Z12W421 O4" "[(2M-H)]-" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 257.150682 "P92Z12W421 O4" "[(2M-H)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 349.124296 "P92Z13W421 Na2 O5 18O" "[(2M-2H+Na)+(HCOONa)]- (18O)" "colpp" 0.93 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)]+ (13C)" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)]+ (13C)" "colzz" 5.26 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)]+ (13C)" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)]+ (13C)" "colzz3" 3.76 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)]+ (13C)" "colpp" 0.93 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "colzz" 5.26 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 483.094902 "P92Z15W423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]-" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 483.094902 "P92Z15W423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]-" "colzz3" 3.76 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 483.094902 "P92Z15W423 Na4 O10" "[(2M-2H+Na)+3(HCOONa)]-" "colpp" 0.93 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 332.033978 "P9Z9W413 Na3 O8" "[(M-H)+3(HCOONa)]-" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 332.033978 "P9Z9W413 Na3 O8" "[(M-H)+3(HCOONa)]-" "colzz" 5.26 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 332.033978 "P9Z9W413 Na3 O8" "[(M-H)+3(HCOONa)]-" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 332.033978 "P9Z9W413 Na3 O8" "[(M-H)+3(HCOONa)]-" "colzz3" 3.76 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 332.033978 "P9Z9W413 Na3 O8" "[(M-H)+3(HCOONa)]-" "colpp" 0.93 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 349.124296 "P92Z13W421 Na2 O5 18O" "[(2M-2H+Na)+(HCOONa)]- (18O)" "hcoltt" 1.4 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 349.124296 "P92Z13W421 Na2 O5 18O" "[(2M-2H+Na)+(HCOONa)]- (18O)" "colzz" 5.26 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 349.124296 "P92Z13W421 Na2 O5 18O" "[(2M-2H+Na)+(HCOONa)]- (18O)" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 349.124296 "P92Z13W421 Na2 O5 18O" "[(2M-2H+Na)+(HCOONa)]- (18O)" "colzz3" 3.76 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 255.135032 "P92Z12W419 O4" "[(2M-H)-(H2)]-" "colzz2" 3.59 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 256.138387 "U1113P92ZW419 O4" "[(2M-H)-(H2)]- (13C)" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 255.135032 "P92Z12W419 O4" "[(2M-H)-(H2)]-" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "POS" 132.090499 "P9Z6W412 O 18O" "[(M+H)]+ (18O)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 255.135032 "P92Z12W419 O4" "[(2M-H)-(H2)]-" "somecol" 5.745 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 255.135032 "P92Z12W419 O4" "[(2M-H)-(H2)]-" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 338.094605 "U1113C H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (13C)" "colzz2" 2.64 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 338.094605 "U1113C H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (13C)" "colAA" 2.6 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 266.050797 "P9Z8W412 Na2 O5 18O" "[(M-H)+2(HCOONa)]- (18O)" "col12" 1.06 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" J89 "NEG" 338.094605 "U1113C H20 Cl N2 Na2 O4" "[(2M-2H+Na)+(NaCl)]- (13C)" "colzz3" 2.83 "J111L6M6O2" 129.07898 "Zopic acid;Chababacid" 76R "POS" 57.05283 "U213P9ZW46 O0" "[(M+H)-(H2O)-(HCOOH)]+ (13C)" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.05283 "U213P9ZW46 O0" "[(M+H)-(H2O)-(HCOOH)]+ (13C)" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.033491 "P90Z3W45 O" "[(M+H)-(NH3)-(HCOOH)]+" "colzz" 4.12 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.05283 "U213P9ZW46 O0" "[(M+H)-(H2O)-(HCOOH)]+ (13C)" "somecol" 6.13 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.033491 "P90Z3W45 O" "[(M+H)-(NH3)-(HCOOH)]+" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 103.05831 "U313P9ZW48 O2" "[(M+H)-(H2O)]+ (13C)" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 103.05831 "U313P9ZW48 O2" "[(M+H)-(H2O)]+ (13C)" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 103.05831 "U313P9ZW48 O2" "[(M+H)-(H2O)]+ (13C)" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.033491 "P90Z3W45 O" "[(M+H)-(NH3)-(HCOOH)]+" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 57.033491 "P90Z3W45 O" "[(M+H)-(NH3)-(HCOOH)]+" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(H2O)]+" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(H2O)]+" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 75.063395 "U213P9ZW48 O" "[(M+H)-(HCOOH)]+ (13C)" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 75.063395 "U213P9ZW48 O" "[(M+H)-(HCOOH)]+ (13C)" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 75.063395 "U213P9ZW48 O" "[(M+H)-(HCOOH)]+ (13C)" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 75.063395 "U213P9ZW48 O" "[(M+H)-(HCOOH)]+ (13C)" "somecol" 6.13 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(H2O)]+" "colzz2" 2.16 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119.05824 "L-vroomumil" 76R "POS" 123.073119 "U313P9ZW410 O2 18O" "[(M+H)]+ (13C) (18O)" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 119.054323 "U313P9ZW48 O3" "[(M-H)]- (13C)" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 119.054323 "U313P9ZW48 O3" "[(M-H)]- (13C)" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 119.054323 "U313P9ZW48 O3" "[(M-H)]- (13C)" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 119.054323 "U313P9ZW48 O3" "[(M-H)]- (13C)" "somecol" 6.13 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 118.050968 "P9Z4W48 O3" "[(M-H)]-" "colzz" 4.12 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 118.050968 "P9Z4W48 O3" "[(M-H)]-" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 118.050968 "P9Z4W48 O3" "[(M-H)]-" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 176.009591 "U4H8 Cl N Na O3" "[(M-H)+(NaCl)]-" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 176.009591 "U4H8 Cl N Na O3" "[(M-H)+(NaCl)]-" 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"U413P9ZW410 O5" "[(M-H)+(HCOOH)]- (13C)" "colzz" 4.12 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 165.059803 "U413P9ZW410 O5" "[(M-H)+(HCOOH)]- (13C)" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 165.059803 "U413P9ZW410 O5" "[(M-H)+(HCOOH)]- (13C)" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 74.024753 "P9Z2W44 O2" "[(M-H)-(C2H4O)]-" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 74.024753 "P9Z2W44 O2" "[(M-H)-(C2H4O)]-" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 74.024753 "P9Z2W44 O2" "[(M-H)-(C2H4O)]-" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 74.024753 "P9Z2W44 O2" "[(M-H)-(C2H4O)]-" "somecol" 6.13 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 259.091157 "P92Z8W416 Na O6" "[(2M-2H+Na)]-" "colzz" 4.12 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 259.091157 "P92Z8W416 Na O6" "[(2M-2H+Na)]-" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 259.091157 "P92Z8W416 Na O6" "[(2M-2H+Na)]-" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 164.056448 "P9Z5W410 O5" "[(M-H)+(HCOOH)]-" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 164.056448 "P9Z5W410 O5" "[(M-H)+(HCOOH)]-" "colzz2" 2.16 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 164.056448 "P9Z5W410 O5" "[(M-H)+(HCOOH)]-" "col12" 0.82 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 164.056448 "P9Z5W410 O5" "[(M-H)+(HCOOH)]-" "somecol" 6.13 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 178.006641 "U4H8 Cl0 37Cl N Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colzz" 4.12 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 178.006641 "U4H8 Cl0 37Cl N Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 178.006641 "U4H8 Cl0 37Cl N Na O3" "[(M-H)+(NaCl)]- (37Cl)" "colpp" 0.84 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "POS" 74.06004 "P9Z3W48 O" "[(M+H)-(HCOOH)]+" "hcoltt" 1.11 "J19L4M6O3" 119.05824 "L-vroomumil" 76R "NEG" 186.038393 "P9Z5W49 Na O5" "[(M-H)+(HCOONa)]-" "colzz3" 2.18 "J19L4M6O3" 119.05824 "L-vroomumil" U761 "NEG" 168.049572 "U613P92ZW47 O3" "[(M-H)+(HCOOH)]- (13C)" "colzz3" 3.66 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 168.049572 "U613P92ZW47 O3" "[(M-H)+(HCOOH)]- (13C)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 168.049572 "U613P92ZW47 O3" "[(M-H)+(HCOOH)]- (13C)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 170.064124 "U613P92ZW49 O3" "[(M+H)+(HCOOH)]+ (13C)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 170.064124 "U613P92ZW49 O3" "[(M+H)+(HCOOH)]+ (13C)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 170.064124 "U613P92ZW49 O3" "[(M+H)+(HCOOH)]+ (13C)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 123.055289 "P92Z6W47 O" "[(M+H)]+" "colzz3" 3.66 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 170.064124 "U613P92ZW49 O3" "[(M+H)+(HCOOH)]+ (13C)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 167.046217 "P92Z7W47 O3" "[(M-H)+(HCOOH)]-" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 167.046217 "P92Z7W47 O3" "[(M-H)+(HCOOH)]-" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 170.064124 "U613P92ZW49 O3" "[(M+H)+(HCOOH)]+ (13C)" "colzz" 11.06 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 167.046217 "P92Z7W47 O3" "[(M-H)+(HCOOH)]-" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 167.046217 "P92Z7W47 O3" "[(M-H)+(HCOOH)]-" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 168.049572 "U613P92ZW47 O3" "[(M-H)+(HCOOH)]- (13C)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 122.044092 "U513P92ZW45 O" "[(M-H)]- (13C)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 122.044092 "U513P92ZW45 O" "[(M-H)]- (13C)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 122.044092 "U513P92ZW45 O" "[(M-H)]- (13C)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 122.044092 "U513P92ZW45 O" "[(M-H)]- (13C)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 78.033825 "P9Z5W44 O0" "[(M+H)-(NH3CO)]+" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 78.033825 "P9Z5W44 O0" "[(M+H)-(NH3CO)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 78.033825 "P9Z5W44 O0" "[(M+H)-(NH3CO)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 78.033825 "P9Z5W44 O0" "[(M+H)-(NH3CO)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 78.033825 "P9Z5W44 O0" "[(M+H)-(NH3CO)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 122.044092 "U513P92ZW45 O" "[(M-H)]- (13C)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 106.02874 "P9Z6W44 O" "[(M+H)-(NH3)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 106.02874 "P9Z6W44 O" "[(M+H)-(NH3)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 106.02874 "P9Z6W44 O" "[(M+H)-(NH3)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 106.02874 "P9Z6W44 O" "[(M+H)-(NH3)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 96.04439 "P9Z5W46 O" "[(M+H)-(HCN)]+" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 96.04439 "P9Z5W46 O" "[(M+H)-(HCN)]+" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 96.04439 "P9Z5W46 O" "[(M+H)-(HCN)]+" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 96.04439 "P9Z5W46 O" "[(M+H)-(HCN)]+" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 96.04439 "P9Z5W46 O" "[(M+H)-(HCN)]+" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.059533 "P92Z6W47 O0 18O" "[(M+H)]+ (18O)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.059533 "P92Z6W47 O0 18O" "[(M+H)]+ (18O)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.059533 "P92Z6W47 O0 18O" "[(M+H)]+ (18O)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.059533 "P92Z6W47 O0 18O" "[(M+H)]+ (18O)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.059533 "P92Z6W47 O0 18O" "[(M+H)]+ (18O)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.052324 "P9Z6W47 15N O" "[(M+H)]+ (15N)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.052324 "P9Z6W47 15N O" "[(M+H)]+ (15N)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.052324 "P9Z6W47 15N O" "[(M+H)]+ (15N)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.052324 "P9Z6W47 15N O" "[(M+H)]+ (15N)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.052324 "P9Z6W47 15N O" "[(M+H)]+ (15N)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 119.025087 "P92Z6W43 O" "[(M-H)-(H2)]-" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 119.025087 "P92Z6W43 O" "[(M-H)-(H2)]-" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 119.025087 "P92Z6W43 O" "[(M-H)-(H2)]-" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 119.025087 "P92Z6W43 O" "[(M-H)-(H2)]-" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 119.025087 "P92Z6W43 O" "[(M-H)-(H2)]-" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 121.040737 "P92Z6W45 O" "[(M-H)]-" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 121.040737 "P92Z6W45 O" "[(M-H)]-" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 121.040737 "P92Z6W45 O" "[(M-H)]-" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 121.040737 "P92Z6W45 O" "[(M-H)]-" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "NEG" 121.040737 "P92Z6W45 O" "[(M-H)]-" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 126.065354 "U313P92Z3W47 O" "[(M+H)]+ (13C3)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 126.065354 "U313P92Z3W47 O" "[(M+H)]+ (13C3)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 126.065354 "U313P92Z3W47 O" "[(M+H)]+ (13C3)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 126.065354 "U313P92Z3W47 O" "[(M+H)]+ (13C3)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 126.065354 "U313P92Z3W47 O" "[(M+H)]+ (13C3)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.061999 "U413P92Z2W47 O" "[(M+H)]+ (13C2)" "hcoltt" 2.5 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.061999 "U413P92Z2W47 O" "[(M+H)]+ (13C2)" "colzz2" 4.24 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.061999 "U413P92Z2W47 O" "[(M+H)]+ (13C2)" "colzz3" 4.3 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.061999 "U413P92Z2W47 O" "[(M+H)]+ (13C2)" "col12" 1.32 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 125.061999 "U413P92Z2W47 O" "[(M+H)]+ (13C2)" "colpp" 0.95 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 124.058644 "U513P92ZW47 O" "[(M+H)]+ (13C)" "col12" 1.05 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" U761 "POS" 169.060769 "P92Z7W49 O3" "[(M+H)+(HCOOH)]+" "somecol" 2.67 "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" 34 "POS" 190.163109 "U813P92ZW421 O2" "[(M+H)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 190.163109 "U813P92ZW421 O2" "[(M+H)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 96.085637 "P92Z9W422 O 18O" "[(M+2H)]++ (18O)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 96.085637 "P92Z9W422 O 18O" "[(M+2H)]++ (18O)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)-(NC3H9)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 172.133205 "P9Z9W418 O2" "[(M+H)-(NH3)]+" "col12" 0.78 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 172.133205 "P9Z9W418 O2" "[(M+H)-(NH3)]+" "somecol" 8.615 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 118.086255 "P92Z10W424 O4" "[(M+2H)+(HCOOH)]++" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.5851925 "U813P92ZW422 O2" "[(M+2H)]++ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.5851925 "U813P92ZW422 O2" "[(M+2H)]++ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.5820325 "P9Z9W422 15N O2" "[(M+2H)]++ (15N)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.5820325 "P9Z9W422 15N O2" "[(M+2H)]++ (15N)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 131.08961 "U513P9ZW412 O2" "[(M+H)-(NC3H9)]+ (13C)" "somecol" 8.615 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(NC3H9)-(HCOOH)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 188.147459 "U813P92ZW419 O2" "[(M+H)-(H2)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 188.147459 "U813P92ZW419 O2" "[(M+H)-(H2)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 118.5879325 "U913P92ZW424 O4" "[(M+2H)+(HCOOH)]++ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 118.5879325 "U913P92ZW424 O4" "[(M+2H)+(HCOOH)]++ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 187.144104 "P92Z9W419 O2" "[(M+H)-(H2)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 187.144104 "P92Z9W419 O2" "[(M+H)-(H2)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 102.127725 "P9Z6W416 O0" "[(M+H)-(J15L3M6O2)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 102.127725 "P9Z6W416 O0" "[(M+H)-(J15L3M6O2)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 212.145054 "U813P92ZW420 Na O2" "[(M+Na)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 212.145054 "U813P92ZW420 Na O2" "[(M+Na)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 192.167353 "U813P92ZW421 O 18O" "[(M+H)]+ (13C) (18O)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 192.167353 "U813P92ZW421 O 18O" "[(M+H)]+ (13C) (18O)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(NC3H9)-(HCOOH)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(NC3H9)-(HCOOH)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(NC3H9)-(H2O)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 112.07569 "P9Z6W410 O" "[(M+H)-(NC3H9)-(H2O)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 100.112075 "P9Z6W414 O0" "[(M+H)-(C3H7O2N)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 100.112075 "P9Z6W414 O0" "[(M+H)-(C3H7O2N)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 247.118377 "U9H21 Cl N2 Na O2" "[(M+H)+(NaCl)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 247.118377 "U9H21 Cl N2 Na O2" "[(M+H)+(NaCl)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 191.166464 "U713P92Z2W421 O2" "[(M+H)]+ (13C2)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 191.166464 "U713P92Z2W421 O2" "[(M+H)]+ (13C2)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 269.100322 "U9H20 Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 269.100322 "U9H20 Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.080775 "P92Z8W420 O0" "[(M+2H)-(HCOOH)]++" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.080775 "P92Z8W420 O0" "[(M+2H)-(HCOOH)]++" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 211.141699 "P92Z9W420 Na O2" "[(M+Na)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 211.141699 "P92Z9W420 Na O2" "[(M+Na)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 189.159754 "P92Z9W421 O2" "[(M+H)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 189.159754 "P92Z9W421 O2" "[(M+H)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 171.149189 "P92Z9W419 O" "[(M+H)-(H2O)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 171.149189 "P92Z9W419 O" "[(M+H)-(H2O)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 270.103677 "U813C H20 Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 270.103677 "U813C H20 Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 191.163998 "P92Z9W421 O 18O" "[(M+H)]+ (18O)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 191.163998 "P92Z9W421 O 18O" "[(M+H)]+ (18O)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)-(NC3H9)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 130.086255 "P9Z6W412 O2" "[(M+H)-(NC3H9)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.083515 "P92Z9W422 O2" "[(M+2H)]++" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 95.083515 "P92Z9W422 O2" "[(M+2H)]++" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 152.0682 "P9Z6W411 Na O2" "[(M+Na)-(NC3H9)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 152.0682 "P9Z6W411 Na O2" "[(M+Na)-(NC3H9)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 378.315587 "U1713P94ZW441 O4" "[(2M+H)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 378.315587 "U1713P94ZW441 O4" "[(2M+H)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 377.312232 "P94Z18W441 O4" "[(2M+H)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 377.312232 "P94Z18W441 O4" "[(2M+H)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.5792925 "P9Z8W420 15N O0" "[(M+2H)-(HCOOH)]++ (15N)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.5792925 "P9Z8W420 15N O0" "[(M+2H)-(HCOOH)]++ (15N)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 271.097372 "U9H20 Cl0 37Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+ (37Cl)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 271.097372 "U9H20 Cl0 37Cl N2 Na2 O2" "[(M+Na)+(NaCl)]+ (37Cl)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 73.08413 "U613P92Z2W420 O0" "[(M+2H)-(HCOOH)]++ (13C2)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 73.08413 "U613P92Z2W420 O0" "[(M+2H)-(HCOOH)]++ (13C2)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 190.156789 "P9Z9W421 15N O2" "[(M+H)]+ (15N)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 190.156789 "P9Z9W421 15N O2" "[(M+H)]+ (15N)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 379.318942 "U1613P94Z2W441 O4" "[(2M+H)]+ (13C2)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 379.318942 "U1613P94Z2W441 O4" "[(2M+H)]+ (13C2)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 143.154274 "P92Z8W419 O0" "[(M+H)-(HCOOH)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 143.154274 "P92Z8W419 O0" "[(M+H)-(HCOOH)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.5824525 "U713P92ZW420 O0" "[(M+2H)-(HCOOH)]++ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 72.5824525 "U713P92ZW420 O0" "[(M+2H)-(HCOOH)]++ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 249.115427 "U9H21 Cl0 37Cl N2 Na O2" "[(M+H)+(NaCl)]+ (37Cl)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 249.115427 "U9H21 Cl0 37Cl N2 Na O2" "[(M+H)+(NaCl)]+ (37Cl)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 172.152544 "U813P92ZW419 O" "[(M+H)-(H2O)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 172.152544 "U813P92ZW419 O" "[(M+H)-(H2O)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 248.121732 "U813C H21 Cl N2 Na O2" "[(M+H)+(NaCl)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 248.121732 "U813C H21 Cl N2 Na O2" "[(M+H)+(NaCl)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 400.297532 "U1713P94ZW440 Na O4" "[(2M+Na)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 400.297532 "U1713P94ZW440 Na O4" "[(2M+Na)]+ (13C)" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 399.294177 "P94Z18W440 Na O4" "[(2M+Na)]+" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 399.294177 "P94Z18W440 Na O4" "[(2M+Na)]+" "colpp" 0.77 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(NC3H9)-(HCOOH)]+ (13C)" "colzz" 9.46 "J120L9M62O2" 188.15248 "Chazamine" 34 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(NC3H9)-(HCOOH)]+ (13C)" "col12" 0.78 "J120L9M62O2" 188.15248 "Chazamine" L17 "POS" 84.063729 "U313P92ZW47" "[(M+H)-(J15L2M6)]+ (13C)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 83.060374 "P92Z4W47" "[(M+H)-(J15L2M6)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.063729 "U313P92ZW47" "[(M+H)-(J15L2M6)]+ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.080775 "P9Z5W410" "[(M+H)-(J12LM62)]+" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.080775 "P9Z5W410" "[(M+H)-(J12LM62)]+" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 63.5549245 "P93Z6W413" "[(M+2H)]++" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 63.5549245 "P93Z6W413" "[(M+2H)]++" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 81.044724 "P92Z4W45" "[(M+H)-(J17L2M6)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 148.084518 "P93Z6W411 Na" "[(M+Na)]+" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 148.084518 "P93Z6W411 Na" "[(M+Na)]+" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.068199 "P94Z8W416" "[(M+2H)+(CH3CN)]++" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.5698765 "U713P94ZW416" "[(M+2H)+(CH3CN)]++ (13C)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.5698765 "U713P94ZW416" "[(M+2H)+(CH3CN)]++ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.5667165 "P93Z8W416 15N" "[(M+2H)+(CH3CN)]++ (15N)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.057409 "P9Z4W47 15N" "[(M+H)-(J15L2M6)]+ (15N)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 84.057409 "P9Z4W47 15N" "[(M+H)-(J15L2M6)]+ (15N)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 251.19787 "P96Z12W423" "[(2M+H)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 252.201225 "U1113P96ZW423" "[(2M+H)]+ (13C)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 252.201225 "U1113P96ZW423" "[(2M+H)]+ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 206.043141 "U6H11 Cl N3 Na2" "[(M+Na)+(NaCl)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 85.08413 "U413P9ZW410" "[(M+H)-(J12LM62)]+ (13C)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 85.08413 "U413P9ZW410" "[(M+H)-(J12LM62)]+ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 64.5582795 "U413P93Z2W413" "[(M+2H)]++ (13C2)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 64.053442 "P92Z6W413 15N" "[(M+2H)]++ (15N)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 64.053442 "P92Z6W413 15N" "[(M+2H)]++ (15N)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 110.079379 "U513P92ZW49" "[(M+H)-(NH3)]+ (13C)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 64.056602 "U513P93ZW413" "[(M+2H)]++ (13C)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 64.056602 "U513P93ZW413" "[(M+2H)]++ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 106.045674 "U313P92ZW46 Na" "[(M+Na)-(J15L2M6)]+ (13C)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 208.040191 "U6H11 Cl0 37Cl N3 Na2" "[(M+Na)+(NaCl)]+ (37Cl)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 208.040191 "U6H11 Cl0 37Cl N3 Na2" "[(M+Na)+(NaCl)]+ (37Cl)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 127.099608 "P92Z6W412 15N" "[(M+H)]+ (15N)" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 105.042319 "P92Z4W46 Na" "[(M+Na)-(J15L2M6)]+" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 105.042319 "P92Z4W46 Na" "[(M+Na)-(J15L2M6)]+" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 126.102573 "P93Z6W412" "[(M+H)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 127.105928 "U513P93ZW412" "[(M+H)]+ (13C)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 127.105928 "U513P93ZW412" "[(M+H)]+ (13C)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 109.076024 "P92Z6W49" "[(M+H)-(NH3)]+" "colpp" 0.77 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 128.109283 "U413P93Z2W412" "[(M+H)]+ (13C2)" "col12" 0.75 "J111L6M63" 125.0953 "Clafamine" L17 "POS" 128.109283 "U413P93Z2W412" "[(M+H)]+ (13C2)" "somecol" 6.195 "J111L6M63" 125.0953 "Clafamine" V101 "POS" 309.178479 "P92Z14W426 Na O4" "[(2M+Na)]+" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 309.178479 "P92Z14W426 Na O4" "[(2M+Na)]+" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 287.196534 "P92Z14W427 O4" "[(2M+H)]+" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 287.196534 "P92Z14W427 O4" "[(2M+H)]+" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 287.196534 "P92Z14W427 O4" "[(2M+H)]+" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 146.108615 "U513P9Z2W414 O2" "[(M+H)]+ (13C2)" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 309.178479 "P92Z14W426 Na O4" "[(2M+Na)]+" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 289.200778 "P92Z14W427 O3 18O" "[(2M+H)]+ (18O)" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 289.200778 "P92Z14W427 O3 18O" "[(2M+H)]+ (18O)" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 289.200778 "P92Z14W427 O3 18O" "[(2M+H)]+ (18O)" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(C3H6)]+" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 102.054955 "P9Z4W48 O2" "[(M+H)-(C3H6)]+" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 310.181834 "U1313P92ZW426 Na O4" "[(2M+Na)]+ (13C)" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 310.181834 "U1313P92ZW426 Na O4" "[(2M+Na)]+ (13C)" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 310.181834 "U1313P92ZW426 Na O4" "[(2M+Na)]+ (13C)" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 288.199889 "U1313P92ZW427 O4" "[(2M+H)]+ (13C)" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 288.199889 "U1313P92ZW427 O4" "[(2M+H)]+ (13C)" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 145.10526 "U613P9ZW414 O2" "[(M+H)]+ (13C)" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 145.10526 "U613P9ZW414 O2" "[(M+H)]+ (13C)" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 145.10526 "U613P9ZW414 O2" "[(M+H)]+ (13C)" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 167.087205 "U613P9ZW413 Na O2" "[(M+Na)]+ (13C)" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 167.087205 "U613P9ZW413 Na O2" "[(M+Na)]+ (13C)" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 98.096425 "P9Z6W412 O0" "[(M+H)-(HCOOH)]+" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 98.096425 "P9Z6W412 O0" "[(M+H)-(HCOOH)]+" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 98.096425 "P9Z6W412 O0" "[(M+H)-(HCOOH)]+" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(C2H4O2)]+" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 84.080775 "P9Z5W410 O0" "[(M+H)-(C2H4O2)]+" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 166.08385 "P9Z7W413 Na O2" "[(M+Na)]+" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 166.08385 "P9Z7W413 Na O2" "[(M+Na)]+" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 166.08385 "P9Z7W413 Na O2" "[(M+Na)]+" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(C2H4O2)]+ (13C)" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 85.08413 "U413P9ZW410 O0" "[(M+H)-(C2H4O2)]+ (13C)" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 168.088094 "P9Z7W413 Na O 18O" "[(M+Na)]+ (18O)" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 168.088094 "P9Z7W413 Na O 18O" "[(M+Na)]+ (18O)" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 168.088094 "P9Z7W413 Na O 18O" "[(M+Na)]+ (18O)" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 146.106149 "P9Z7W414 O 18O" "[(M+H)]+ (18O)" "colzz3" 2.49 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 146.106149 "P9Z7W414 O 18O" "[(M+H)]+ (18O)" "colpp" 0.89 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 144.101905 "P9Z7W414 O2" "[(M+H)]+" "colzz3" 2.19 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 144.101905 "P9Z7W414 O2" "[(M+H)]+" "col12" 0.94 "J113L7M6O2" 143.09463 "Ovomaltine" V101 "POS" 144.101905 "P9Z7W414 O2" "[(M+H)]+" "somecol" 4.66 "J113L7M6O2" 143.09463 "Ovomaltine"