ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C00025
CH$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 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.
  59.400 39604.0 1
  70.700 74257.5 2
  80.200 24752.5 1
  81.100 242574.5 8
  83.400 113861.5 4
  84.000 2277230.0 71
  85.400 14851.5 1
  88.300 361386.5 11
  97.800 138614.0 4
  99.000 247525.0 8
  101.900 3995053.5 124
  111.800 39604.0 1
  113.100 6544561.0 203
  115.900 1594061.0 49
  130.000 8158424.0 253
  131.000 10613872.0 329
  148.200 32198052.0 999
//