MassBank Record: KO001271

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Lactic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001271
RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID L005

CH$NAME: Lactate
CH$NAME: (S)-Lactate
CH$NAME: L-Lactic acid
CH$NAME: L-Lactate
CH$NAME: Lactic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O3
CH$EXACT_MASS: 90.031689999999997553459252230823040008544921875
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: CHEBI 422
CH$LINK: COMPTOX DTXSID6034689
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N
CH$LINK: KEGG C00186
CH$LINK: NIKKAJI J9.134K
CH$LINK: PUBCHEM SID:3486

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 89
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-9000000000-3bcfc4cdc49230f15642
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  43.200 3207924.0 377
  44.900 524753.0 62
  58.800 99010.0 12
  71.100 287129.0 34
  86.900 262376.5 31
  89.000 8490107.5 999
//