ACCESSION: MSBNK-RIKEN_ReSpect-PT207820
RECORD_TITLE: 1-Hydroxyethanecarboxylic acid, alpha-Hydroxypropanoic acid, 2-Hydroxypropionic acid, Lactate, 2-Hydroxy-2-methylacetic acid, Ethylidenelactic acid, Propel, Milk acid, DL-Lactic acid, (2S)-2-hydroxypropanoic acid, Milchsaeure; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 1-Hydroxyethanecarboxylic acid
CH$NAME: alpha-Hydroxypropanoic acid
CH$NAME: 2-Hydroxypropionic acid
CH$NAME: Lactate
CH$NAME: 2-Hydroxy-2-methylacetic acid
CH$NAME: Ethylidenelactic acid
CH$NAME: Propel
CH$NAME: Milk acid
CH$NAME: DL-Lactic acid
CH$NAME: (2S)-2-hydroxypropanoic acid
CH$NAME: Milchsaeure
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Lactic acid
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.078
CH$SMILES: CC(C(=O)O)O
CH$IUPAC: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
CH$LINK: CAS 50-21-5
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 89.02389

PK$SPLASH: splash10-000i-9000000000-32a7c59ca2c276cf73a6
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
89.0239 31.74 999
//