vkmz: databases/bmrb-heavy.tsv comparison

comparison databases/bmrb-heavy.tsv @ 6:35b984684450 draft

planemo upload for repository https://github.com/HegemanLab/VKMZ commit 5ef8d2b36eb35ff5aad5d5e9b78c38405fc95c1a

author	eslerm
date	Tue, 10 Jul 2018 17:58:35 -0400
parents	0b8ddf650752
children

comparison

equal deleted inserted replaced

-:04079c34452a
+:35b984684450
-Formula	Formula_mono_iso_wt_nat
+17.03465497	CH4
-C9H10N2	157.1086617
+28.02235974	C2H2
-C7H7N3	143.0785858
+29.01128877	CHN
-C4H13NO7P2	254.027179
+30.0380098	C2H4
-C23H28O10	487.2454084
+31.01391952	CH2O
-C26H25N2NaO6S	544.2143975
+33.02956959	CH4O
-C23H28O11	503.240323
+33.0425889	CH5N
-C31H54N7O17P3S	959.3342178
+35.02523313	CH3F
-C16H20O2	260.2000073
+45.00620339	CHNO
-C26H38N7O19P3S	910.1820723
+45.0192227	CH2N2
-C16H20O3	276.1949219
+45.05701471	C3H6
-C16H20O4	292.1898365
+46.03292443	C2H4O
-C72H101CoN18O17P+	1669.853798
+46.04594373	C2H5N
-C16H20O6	324.1796658
+47.00883415	CH2O2
-C10H14N2O	190.1382312
+47.02185345	CH3NO
-C24H40N7O18P3S	870.1960981
+48.04857449	C2H6O
-C16H20O9	372.1644096
+48.0615938	C2H7N
-C62H90CoN13O15P-2	1421.745447
+49.00672566	CH4S
-C32H42O7	570.4004085
+57.0206292	C3H2O
-C32H42O8	586.3953231
+57.03364851	C3H3N
-C92H130N28O24S4	2259.095182
+59.03627926	C3H4O
-C12H20NO10S3-	447.0627745
+60.01218898	C2H2O2
-C7H7NO	129.0732826
+60.98335946	CHNS
-C9H10O2	159.0982731
+61.02001402	C2H3O2
-C9H10O3	175.0931877
+61.05192933	C3H6O
-C9H10O4	191.0881024
+61.06494864	C3H7N
-C9H10O5	207.083017
+62.02783905	C2H4O2
-C66H87N13O13	1348.837503
+62.04085836	C2H5NO
-C9H10O6	223.0779316
+63.00374877	CH2O3
-C48H84N2O17	1010.732101
+63.01676808	CH3NO2
-C13H16N2O2	247.1588604
+63.02978739	CH4N2O
-C13H16N2O3	263.1537751
+63.06757939	C3H8O
-C39H32O15	779.304959
+63.0805987	C3H9N
-C13H16N2O4	279.1486897
+63.99903748	C2H3Cl
-C21H26ClN3O2	411.2329111
+64.02573056	C2H6S
-C11H11NO2	201.1129167
+64.04348911	C2H6O2
-C13H16N2O5	295.1436043
+64.05650842	C2H7NO
-C11H11NO3	217.1078313
+64.06952773	C2H8N2
-C13H16N2O6	311.1385189
+72.0396341	C4H4O
-C11H11NO4	233.102746
+73.01554382	C3H2O2
-C11H11NO6	265.0925752
+73.04158244	C3H4N2
-C7H4NNaO3S	213.0014771
+74.05528417	C4H6O
-C19H23NO2	317.2336558
+74.06830347	C4H7N
-C19H23NO3	333.2285704
+75.03119389	C3H4O2
-C19H23NO4	349.223485
+75.04421319	C3H5NO
-C19H23NO5	365.2183997
+75.0572325	C3H6N2
-C28H31N3O6	536.3063259
+76.00710361	C2H2O3
-C17H12ClNO2S	347.0817942
+76.07093423	C4H8O
-C19H23NO6	381.2133143
+76.08395354	C4H9N
-C40H68O11	764.6103565
+77.04684395	C3H6O2
-C11H17N3O7S	349.1067285
+77.05986326	C3H7NO
-C22H27NO2	360.2750204
+78.00499512	C2H4OS
-C22H27NO3	376.2699351
+78.02275367	C2H4O3
-C22H27NO4	392.2648497
+78.03577298	C2H5NO2
-C29H38N2O4	509.3745178
+78.04879229	C2H6N2O
-C2H3O2	61.02001402
+78.0618116	C2H7N3
-C6H15N5	168.138049
+78.08658429	C4H10O
-C8H8F3N3O4S2	342.0087751
+78.0996036	C4H11N
-C25H49NO4	453.4470649
+79.00694345	CH4N2S
-C24H22N2+2	364.2517875
+79.02470201	CH4N2O2
-C4H8O2S	124.0379195
+79.03772132	CH5N3O
-C26H24O5	442.2495997
+79.04473546	C3H8S
-C21H26ClN3OS	427.2100671
+79.06249401	C3H8O2
-C14H15ClN2	262.1334137
+79.07551332	C3H9NO
-C21H36O2	341.341982
+79.08853263	C3H10N2
-C13H10Cl2	249.0595686
+79.9939521	C2H3ClO
-C21H36O4	373.3318112
+80.01841722	C2H3FO2
-C5H4N4	129.0485099
+80.02064518	C2H6OS
-C22H17ClN2	368.1759025
+80.03366449	C2H7NS
-C21H36O5	389.3267259
+80.03577909	C6H2
-C10H14N5+	219.1430947
+82.00960217	C2H5ClO
-C20H30N2O5S	432.2487093
+83.05925419	C6H5
-C43H65N5O10	859.6025758
+84.06707922	C6H6
-C14H16O10	358.1213145
+84.95671032	CH2Cl2
-C24H47NO10S	566.3696184
+84.98569341	CHNaO3
-C16H22N4O3	338.2110076
+85.05600825	C5H5N
-C13H10ClNO2	261.0806541
+86.04493728	C4H4N2
-C15H18N2	243.1913909
+88.03454872	C4H4O2
-C8H9N3O2	190.0874199
+88.06058734	C4H6N2
-C13H19N3O4	297.1722737
+89.03649706	C3H4N2O
-C8H9N3O4	222.0772492
+89.04951637	C3H5N3
-C47H51NO14	901.4856676
+89.07428907	C5H8O
-C16H22N4O9	434.1804953
+89.08730838	C5H9N
-C46H46N2O23	1042.397528
+90.0384454	C2H4N4
-C28H32Cl2O10P2S2	752.1228525
+90.05019879	C4H6O2
-C4H8O3S	140.0328342
+90.0632181	C4H7NO
-C17H26N3O15P	563.1582906
+90.11402941	C6H12
-C14H21N3O2S	312.17352
+91.02610851	C3H4O3
-C36H60O2	560.5801053
+91.03912782	C3H5NO2
-C13H20ClNO	255.1639898
+91.08993913	C5H10O
-C5H4O2	101.0379036
+91.10295844	C5H11N
-C52H82O2	790.8059334
+92.00201823	C2H2O4
-C5H8N4O12	325.0187855
+92.01503754	C2H3NO3
-C5H4O3	117.0328182
+92.06584885	C4H8O2
-C12H18N2O	220.1762411
+92.07886816	C4H9NO
-C15H21N3O	277.2098896
+92.09188747	C4H10N2
-C11H8O2	183.0893327
+92.12967948	C6H14
-C11H8O3	199.0842473
+92.99730694	C3H3ClO
-C11H8O4	215.079162
+93.02400002	C3H6OS
-C11H8O5	231.0740766
+93.04175857	C3H6O3
-C15H10ClN3O3	333.0824962
+93.05477788	C3H7NO2
-C11H8O6	247.0689912
+93.06779719	C3H8N2O
-C6H12N3PS	198.0601883
+93.1055892	C5H12O
-CH5N3O	79.03772132
+93.1186085	C5H13N
-C6H14ClNO2S	206.060541
+93.99990974	C2H4O2S
-C51H82O21	1081.705956
+94.04370691	C2H6N2O2
-C25H30O12	547.2575974
+94.05672622	C2H7N3O
-C51H82O23	1113.695786
+94.06374036	C4H10S
-C15H18O2	245.1810024
+94.08149892	C4H10O2
-C15H18O3	261.175917
+94.10753753	C4H12N2
-C33H24O10	613.2476566
+95.01295701	C3H5ClO
-C20H27NO11	478.2225424
+95.05740864	C3H8O3
-C15H18O4	277.1708316
+95.07042794	C3H9NO2
-C20H27NO12	494.217457
+95.9444151	C2Cl2
-C15H18O5	293.1657463
+95.98886673	C2H3ClO2
-C27H36F2O5	505.3436613
+95.99780125	C2H6S2
-C15H18O6	309.1606609
+96.0155598	C2H6O2S
-C36H51N3O10	724.4693237
+96.95117677	CH4Se
-C27H36F2O6	521.3385759
+96.99146952	CH4O3S
-C12H8N4O6S	352.0448523
+97.96006516	C2H2Cl2
-C15H18O7	325.1555755
+99.08608412	C7H8
-C28H52O12	608.4398126
+99.97571522	C2H4Cl2
-C15H18O8	341.1504901
+99.98372092	C2H3KO2
-C16H20N2O9S2	466.1087688
+100.0619938	C6H6O
-C15H18O9	357.1454047
+100.0750132	C6H7N
-C12H15N5O3	294.1429219
+101.0379036	C5H4O2
-C13H15NO2	231.1509265
+101.0509229	C5H5NO
-C36H46O14	738.4095303
+101.0639422	C5H6N2
-C37H66N7O17P3S	1049.448247
+102.0268326	C4H3NO2
-C13H15NO6	295.130585
+102.0576574	C6H5F
-C21H37ClN+	360.3283908
+102.0776439	C6H8O
-C16H25N5O6	404.2193354
+104.0424827	C4H5NO2
-C6H13NO2S	170.0838633
+104.055502	C4H6N2O
-C9H10N2O	173.1035763
+104.0685213	C4H7N3
-C19H24N8O10S3	647.1177722
+104.093294	C6H10O
-C14H21NO	234.2063169
+105.0314117	C3H4N2O2
-C19H16Cl2N2O4S	459.0785948
+105.0692037	C5H8O2
-C16H20NO4+	307.1893969
+105.082223	C5H9NO
-C19H24N7O8P	535.1853835
+106.0451134	C4H6O3
-C22H32O2	350.3140367
+106.0581327	C4H7NO2
-C22H32O3	366.3089513
+106.071152	C4H8N2O
-C4H5N3O2	134.0427005
+106.108944	C6H12O
-C29H33ClN2O2	507.3144161
+106.1219633	C6H13N
-C22H32O6	414.2936952
+107.0210231	C3H4O4
-C22H32O7	430.2886098
+107.0293032	C3H6N2S
-C42H70O14	840.6174601
+107.0340424	C3H5NO3
-C6H11N2O4PS3	309.9760542
+107.0470617	C3H6N2O2
-C22H32O8	446.2835244
+107.0848538	C5H10O2
-C22H32O9	462.2784391
+107.0978731	C5H11NO
-C11H18N2O2S	255.1398715
+108.0229715	C2H4N2O3
-C32H43N8O20P3S	1024.23635
+108.0359908	C2H5N3O2
-C31H64	467.604802
+108.0607635	C4H8O3
-C6H13NO3S	186.0787779
+108.0620294	C2H7N5
-C12H18N4O	250.1764588
+108.0737828	C4H9NO2
-C18H39O7P	416.3037272
+108.0868021	C4H10N2O
-C14H8N2O	236.1047004
+108.1376134	C6H15N
-C32H36N4	512.3894916
+108.9922216	C3H3ClO2
-C23H29N3O2S	437.2663138
+109.0189146	C3H6O2S
-C5H7NO2	119.0614876
+109.0366732	C3H6O4
-C5H7NO3	135.0564022
+109.0496925	C3H7NO3
-C18H22NO+	287.2270127
+109.0627118	C3H8N2O2
-C70H104O32	1526.88591
+109.1265424	C5H14N2
-C5H7NO4	151.0513168
+110.0716743	C4H11NS
-C5H7NO5	167.0462314
+110.0894328	C4H11NO2
-C10H16Br2N2O2	365.9854711
+111.0228113	CH6N4S
-C10H16KNO9S2	408.0209377
+111.045356	C3H6FNO2
-C15H22N2O17P2	581.0837627
+111.0627179	C7H5N
-C7H7ClO2	165.036941
+111.9418696	C2FeN2
-C17H18N2O2	301.1879299
+111.9701817	C2H6Se
-C21H41O7P	457.3294418
+112.0234937	C2H7NO2S
-C17H18N2O5	349.1726737
+112.051647	C6H4N2
-C19H36O2	315.3352723
+112.089439	C8H8
-C27H34O10	545.3057779
+112.9790701	C3H4Cl2
-C16H14O3	270.1479717
+112.9863841	CH4O4S
-C17H18N2O6	365.1675884
+112.9959	CH5O4P
-C53H86O21	1111.743966
+113.0089193	CH6NO3P
-C27H34O11	561.3006926
+113.040576	C5H3N3
-C16H14O4	286.1428863
+113.0653487	C7H6O
-C27H34O12	577.2956072
+114.0412584	C6H4O2
-C16H14O5	302.137801
+114.0542777	C6H5NO
-C16H14O6	318.1327156
+114.0762813	C4H12ClN
-C16H23N2O6	357.2033587
+114.105089	C8H10
-C16H14O7	334.1276302
+115.0809987	C7H8O
-C27H34O15	625.280351
+115.0940181	C7H9N
-C16H14O8	350.1225448
+116.0569085	C6H6O2
-C20H28N2O5S	430.2330593
+116.0699278	C6H7NO
-C27H34O16	641.2752657
+116.0829471	C6H8N2
-C4H8N4O4	184.0561137
+117.0328182	C5H4O3
-C15H9I3O5	664.808725
+117.0458375	C5H5NO2
-C11H17N2+	190.169598
+117.0588568	C5H6N2O
-C30H38O13	636.3318864
+117.0718761	C5H7N3
-C23H30N2O4	423.2917885
+117.1096681	C7H11N
-C23H30N2O5	439.2867031
+118.0087279	C4H2O4
-C14H16O4S	294.1238974
+118.0281069	C6H5Cl
-C14H12Cl2O	280.0734882
+118.0347665	C4H4N2O2
-C23H30N2O6	455.2816178
+118.0477858	C4H5N3O
-C6H4ClNO2	164.01022
+118.0655913	C6H6FN
-C14H20N2O	248.1986008
+118.0725585	C6H8O2
-C10H12N2O3S	252.0844811
+118.917738	CHCl3
-C4H11O3PS	174.0300708
+119.0484682	C5H6O3
-C15H19NO2	261.1889363
+119.0614876	C5H7NO2
-C15H19NO3	277.1838509
+119.0875262	C5H9N3
-C3H3ClN4O	152.9977425
+120.024378	C4H4O4
-C12H13N5O6S2	404.0561571
+120.0373973	C4H5NO3
-C35H42N2O9	671.4005201
+120.0504166	C4H6N2O2
-C42H70O35	1176.510667
+120.0634359	C4H7N3O
-C12H6O2	194.0770375
+120.07045	C6H10S
-C14H21N3O6S	376.1531785
+120.0882086	C6H10O2
-C12H6O4	226.0668667
+120.1012279	C6H11NO
-C30H49N3O10S	676.4056153
+121.0002877	C3H2O5
-C21H36BrNO	419.2655139
+121.013307	C3H3NO4
-C35H34MgN4O4	637.3486064
+121.0641183	C5H8O3
-C18H33FeO21	659.1467623
+121.0771376	C5H9NO2
-C16H15Cl3O2	360.0674403
+121.0901569	C5H10N2O
-C35H28O22	835.2246419
+121.1279489	C7H14O
-C35H34MgN4O5	653.343521
+122.021132	C3H4NO4
-C39H41NO19	867.3551517
+122.040028	C4H6O4
-C41H52O18	873.4529132
+122.0530473	C4H7NO3
-C27H31O14+	606.2614127
+122.1038587	C6H12O2
-C28H26N4O3	498.2825658
+122.1676893	C8H18
-C104H172N14O30P2	2277.491295
+122.9981792	C3H4O3S
-C21H35N9O15P2	745.2165502
+123.0159378	C3H4O5
-C26H33NO4	450.3252192
+123.0242178	C3H6N2OS
-C16H26N2O15P2	566.1285884
+123.0289571	C3H5NO4
-C26H33NO5	466.3201339
+123.0419764	C3H6N2O3
-C5H12N4O3	185.095854
+123.0549957	C3H7N3O2
-C13H19NO	219.187312
+123.0797684	C5H10O3
-C28H47NO4S	522.41355
+123.0927877	C5H11NO2
-C9H20NO2+	184.1760837
+123.105807	C5H12N2O
-C3H3ClO2	108.9922216
+124.020161	C4H8S2
-C20H33N3	338.3256495
+124.0379195	C4H8O2S
-C31H33N3O6S	609.3041111
+124.0509389	C4H9NOS
-C17H21ClFN3O4	405.168599
+124.0556781	C4H8O4
-C27H4804	5192.682035
+124.0686974	C4H9NO3
-C27H4805	5193.68986
+124.0817167	C4H10N2O2
-C43H48CoN4O16+	982.3715807
+124.9539056	CH5AsO2
-C16H12NO3+	283.131882
+125.0268486	C3H7NO2S
-C16H27NO11	426.209123
+125.989739	C2H4O4S
-C23H21N2NaO6S	501.1730328
+125.9992548	C2H5O4P
-C24H29NO10	516.2566972
+126.0713282	C4H10O4
-C11H17N3O	221.1651701
+126.0817228	C8H7N
-C10H12N2O5S	284.0743104
+126.0843475	C4H11NO3
-C43H70N10O27P2	1273.503317
+126.9751646	CH3O5P
-C27H31O15+	622.2563274
+127.0117208	C3H8OS2
-C30H31N	436.34333
+127.0158056	C3H6ClNO2
-C18H22O11	432.1765986
+127.0706519	C7H6N2
-C21H26O10	459.2230486
+127.1084439	C9H10
-C21H26O12	491.2128779
+127.9698719	C2H6S3
-C7H9ClO6P2S	324.9518433
+128.005389	C2H6O4S
-C36H54O2	554.5331551
+128.0149049	C2H7O4P
-C17H10O6	327.1047703
+128.0184084	C2H7NO3S
-C24H26N2O16S	656.1748894
+128.0279242	C2H8NO3P
-C29H38O11	591.3387024
+128.0843536	C8H8O
-C14H20N6O5S	404.1507656
+128.9061952	CH2BrCl
-C6H5BrO	177.9725064
+129.0485099	C5H4N4
-C20H33NO	324.3203463
+129.0602633	C7H6O2
-C41H38N6O5S2	805.3542675
+129.0732826	C7H7NO
-C36H54O8	650.5026429
+129.0863019	C7H8N2
-C12H22O2	210.202238
+129.1240939	C9H12
-C18H34ClN2O8PS	524.2006579
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-C12H20NO10S2-	415.0907038
-C20H20NO4+	359.2028162

Mercurial > repos > eslerm > vkmz

comparison databases/bmrb-heavy.tsv @ 6:35b984684450 draft