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Details of Acetylsalicylic acid (1TMS)

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Role Analyte
nameAcetylsalicylic acid (1TMS)
MPIMP IDA128010
isotopomerambient
formulaC12H16O4Si
molecular mass252.339
monoisotopic mass252.08179
InChIInChI=1S/C12H16O4Si/c1-9(13)15-11-8-6-5-7-10(11)12(14)16-17(2,3)4/h5-8H,1-4H3
InChIKeyGTMQKSKQHOCIDW-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,531.68
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d3c6ad4b-f215-4984-ae82-5172e39762c6%27)

Synonyms of Acetylsalicylic acid (1TMS)

Metabolite mapped to Acetylsalicylic acid (1TMS)

Reference spectra of Acetylsalicylic acid (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
1 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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