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MassBank Record: KO002952

L-Glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002952
RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:40 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$LINK: KEGG C00025
CH$LINK: NIKKAJI J9.171E
CH$LINK: PUBCHEM SID:3327
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID5020659

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 40 V

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

PK$SPLASH: splash10-053r-9000000000-b44e3b9c04f8aaae8f27
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.300 173267.5 47
  56.200 1980200.0 539
  57.300 123762.5 34
  69.300 24752.5 7
  70.800 19802.0 5
  71.200 24752.5 7
  74.200 29703.0 8
  81.100 49505.0 13
  84.000 3668320.5 999
  84.800 202970.5 55
  87.700 14851.5 4
  98.700 94059.5 26
//

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