ACCESSION: MSBNK-EPA-ENTACT_AGILENT001621
RECORD_TITLE: D-Lactic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: D-Lactic acid
CH$NAME: 乳酸
CH$NAME: 2-羟基丙酸
CH$NAME: α-羟基丙酸
CH$NAME: 丙醇酸
CH$NAME: D-Lactate
CH$NAME: (-)-Lactic acid
CH$NAME: α-Hydroxypropanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.0316940583
CH$SMILES: C[C@@H](O)C(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
CH$LINK: CAS 10326-41-7
CH$LINK: CHEMSPIDER 55423
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-UWTATZPHSA-N
CH$LINK: PUBCHEM CID:61503

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 40

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$SPLASH: splash10-0006-9000000000-1948f21b46c880366ebf
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.003288 100.000004 999
  41.039674 1.219895 12
  43.018938 50.756858 507
  44.998203 2.760709 27
//