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MassBank Record: KO001270

Lactic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001270
RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:10 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: 90.03169
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$LINK: KEGG C00186
CH$LINK: NIKKAJI J9.134K
CH$LINK: PUBCHEM SID:3486
CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID6034689

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 10 V

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

PK$SPLASH: splash10-000i-9000000000-8f5d5eddb0b4b2a3b541
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.200 480198.5 4
  45.100 212871.5 2
  56.900 29703.0 1
  59.300 262376.5 2
  61.000 59406.0 1
  71.200 198020.0 2
  87.100 178218.0 1
  89.000 123782302.0 999
//

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