ACCESSION: MSBNK-Keio_Univ-KO002950
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-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 20 V

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

PK$SPLASH: splash10-001i-9400000000-f574985068a9b5c686f1
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  56.100 178218.0 7
  57.100 103960.5 4
  59.200 89109.0 4
  68.900 242574.5 10
  70.900 207921.0 9
  72.300 19802.0 1
  73.800 123762.5 5
  74.700 14851.5 1
  80.900 153465.5 6
  83.400 39604.0 2
  84.200 24351509.5 999
  85.000 2336636.0 96
  88.200 158416.0 6
  88.600 64356.5 3
  95.300 133663.5 5
  99.000 99010.0 4
  101.900 7183175.5 295
  113.100 3861390.0 158
  116.100 29703.0 1
  130.000 2876240.5 118
  131.000 198020.0 8
  148.300 534654.0 22
//