ACCESSION: MSBNK-Keio_Univ-KO002951
RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-9000000000-71a54be22b4253049d5f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.100 163366.5 9
  43.100 24752.5 1
  55.300 54455.5 3
  56.300 1425744.0 78
  57.100 153465.5 8
  67.300 54455.5 3
  68.700 39604.0 2
  69.100 103960.5 6
  71.100 84158.5 5
  72.900 34653.5 2
  74.100 89109.0 5
  81.200 29703.0 2
  84.100 18168335.0 999
  84.900 1698021.5 93
  88.000 59406.0 3
  98.800 118812.0 7
  101.800 514852.0 28
  113.100 138614.0 8
  130.200 29703.0 2
//