Spectrum PS023607 for Glycolic acid

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
76.016
C2H4O3
76.01604398799999
O=C(O)CO
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
AEMRFAOFKBGASW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PS023607
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
Copyright(C) 2008 Plant Science Center, RIKEN
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
TQD, Waters
Flow-injection QqQ/MS
ESI
Q
Q
LOW-ENERGY CID
10
Q
CENTROID
[M-H]-
MS2
negative
0.0
NaN
74.96
[M-H]-
650.5868196370664 ppm
-0.04876798799999449 Da