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author | fgiacomoni |
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date | Wed, 03 Oct 2018 05:35:16 -0400 |
parents | 11779b6402bc |
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Num Spectre Analyte Name Spectrum Name Retention Index RI Discrepancy DotproductDistance EuclideanDistance JaccardDistance HammingDistance s12GowerLegendreDistance Spectrum ID Metabolite ID Analyte ID 1 Glucose (1MEOX) (5TMS) BP Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23] 1899.05493 1.054953 0.003766 0.006487 0.284916 51 0.404160 dd5bb721-ce4f-4cec-99ff-de2cb818304d 68513255-fc44-4041-bc4b-4fd2fae7541d 0a2b3536-2245-4c0e-bdbc-495766eeec67 1 Idose (1MEOX) (5TMS) BP Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1] 1897.25439 0.745605469 0.004161 0.007327 0.238710 37 0.367506 d00de57d-6fab-49d0-9aee-25e259da9180 ab025068-f464-4bc6-9c92-994c29387db2 6f4e926f-d7ef-47b6-a52c-91ff88ca567a 1 Galactose (1MEOX) (5TMS) BP Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9] 1902.42212 4.422119 0.004839 0.007118 0.319372 61 0.428936 c1226b8e-944e-4d32-ae01-8a9d12465d34 dd3ea070-54a6-4ea7-b99b-a6e975fdd204 1c3ad0aa-ee78-4542-93b3-aa9fdf07add1 1 Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1] 1893.44385 4.55619574 0.048193 0.020561 0.447368 102 0.522435 2b364030-9fa7-4066-b685-52d7946110a6 00ce759f-d1f9-492e-89f7-b7400a34c72d da9d76f5-a2af-4fd1-89e1-c8426ad16980 1 Glucose, U-13C- (1MEOX) (5TMS) BP Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2] 1901.63 3.63 0.068245 0.027927 0.514286 90 0.586345 27d4dcdd-d351-4976-8ef9-76a0cc53f631 441faccb-2631-4e7d-b6ca-99437265ccb8 96441b61-2891-4e81-93dc-d0fc0ad175d4 1 Allantoin (5TMS) Allantoin (5TMS) [A188009-ambient-na-6] 1896.99829 1.001709 0.078005 0.027929 0.615000 123 0.666298 063fa226-ed62-4d9f-9d5c-ee52c0974e55 a999f0d6-0285-41d9-a6ba-b705987b663c 65bb54d2-6bf7-4a53-aa22-8abf71240005 1 Erythrose-4-phosphate (1MEOX) (4TMS) MP Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1] 1895.98438 2.01558065 0.089635 0.020734 0.666667 278 0.652211 85927200-53a4-492a-ad57-0a7b1d8a6e85 d4f07f67-d45b-43b6-bd4c-d08708d1a7ad 2665f816-5c52-45ed-901e-4481cf048257 1 Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9] 1902.77417 4.77417 0.111977 0.026496 0.655172 209 0.673894 8bbd7202-8794-4486-8b16-61d8dff4c5bd 87e988c4-f26c-4e03-9a40-1b0c0b36ca67 163bf790-e995-46a9-8059-446172ddca0f