ACCESSION: MSBNK-EPA-ENTACT_AGILENT000981
RECORD_TITLE: (S)-2-Hydroxypropionic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (S)-2-Hydroxypropionic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.0316940583
CH$SMILES: C[C@H](O)C(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
CH$LINK: CAS 79-33-4
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N
CH$LINK: PUBCHEM CID:107689

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 89.0244176066
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-22fc8b4e102ba27a8c01
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  41.003288 15.226377 152
  43.018938 99.999997 999
  44.998203 3.917467 39
  71.013853 1.495681 14
  89.024418 10.158594 101
//