MassBank Record: KO002949

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L-Glutamic 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: KO002949
RECORD_TITLE: L-Glutamic 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 G019

CH$NAME: L-Glu
CH$NAME: L-Glutamate
CH$NAME: L-Glutaminic acid
CH$NAME: L-Glutamic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO4
CH$EXACT_MASS: 147.05316
CH$SMILES: OC(=O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
CH$LINK: CAS 56-86-0
CH$LINK: CHEBI 16015
CH$LINK: CHEMPDB GLU
CH$LINK: COMPTOX DTXSID5020659
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N
CH$LINK: KEGG C00025
CH$LINK: NIKKAJI J9.171E
CH$LINK: PUBCHEM SID:3327

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000t-0900000000-7c02624abe56da9247a2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  59.4 39604.0 1.0
  70.7 74257.5 2.0
  80.2 24752.5 1.0
  81.1 242574.0 8.0
  83.4 113862.0 4.0
  84.0 2277230.0 71.0
  85.4 14851.5 1.0
  88.3 361386.0 11.0
  97.8 138614.0 4.0
  99.0 247525.0 8.0
  101.9 3995050.0 124.0
  111.8 39604.0 1.0
  113.1 6544560.0 203.0
  115.9 1594060.0 49.0
  130.0 8158420.0 253.0
  131.0 1.06139E7 329.0
  148.2 3.21981E7 999.0
//