MassBank Record: KO000822

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D-Glu; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO000822
RECORD_TITLE: D-Glu; 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 G005

CH$NAME: D-Glu
CH$NAME: D-Glutaminic acid
CH$NAME: D-Glutamic acid
CH$NAME: D-2-Aminoglutaric acid
CH$NAME: D-Glutamate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO4
CH$EXACT_MASS: 147.05315999999999121428118087351322174072265625
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-/m1/s1
CH$LINK: CAS 6893-26-1
CH$LINK: CHEBI 15966
CH$LINK: CHEMPDB DGL
CH$LINK: COMPTOX DTXSID1048675
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N
CH$LINK: KEGG C00217
CH$LINK: NIKKAJI J9.214B
CH$LINK: PUBCHEM SID:3517

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 40 V

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

PK$SPLASH: splash10-0udi-7900000000-810570c8cfcea8da64f5
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  42.000 103960.5 219
  45.100 34653.5 73
  59.000 44554.5 94
  70.900 89109.0 187
  74.000 64356.5 135
  82.000 29703.0 62
  83.900 14851.5 31
  85.000 19802.0 42
  86.300 14851.5 31
  102.000 475248.0 999
//