MassBank Record: MSBNK-Keio_Univ-KO000821
ACCESSION: MSBNK-Keio_Univ-KO000821
RECORD_TITLE: D-Glu; 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 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: 147.05316
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-/m1/s1
CH$LINK: CAS
6893-26-1
CH$LINK: CHEBI
15966
CH$LINK: CHEMPDB DGL
CH$LINK: KEGG
C00217
CH$LINK: NIKKAJI
J9.214B
CH$LINK: PUBCHEM
SID:3517
CH$LINK: INCHIKEY
WHUUTDBJXJRKMK-GSVOUGTGSA-N
CH$LINK: COMPTOX
DTXSID1048675
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-1900000000-f71458032a132069f94f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
35.000 24752.5 3
42.300 113861.5 14
44.800 79208.0 10
56.200 64356.5 8
59.000 148515.0 19
71.100 118812.0 15
73.900 400990.5 50
82.200 74257.5 9
83.900 148515.0 19
85.100 237624.0 30
86.200 39604.0 5
100.400 49505.0 6
102.000 8019810.0 999
127.900 910892.0 113
146.100 118812.0 15
//
system version 2.2.6-SNAPSHOT