ACCESSION: MSBNK-Keio_Univ-KO000849
RECORD_TITLE: L-Glutamic 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 G019

CH$NAME: L-Glu
CH$NAME: L-Glutamic acid
CH$NAME: L-Glutamate
CH$NAME: L-Glutaminic 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0udi-0900000000-40d901f655797db2cd0f
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.200 29703.0 1
  73.900 128713.0 5
  84.400 366337.0 14
  85.100 267327.0 10
  99.800 113861.5 4
  101.000 113861.5 4
  102.100 25846560.5 999
  103.600 14851.5 1
  128.100 11024763.5 426
  146.000 4301984.5 166
//