MassBank Record: MSBNK-Keio_Univ-KO002926
ACCESSION: MSBNK-Keio_Univ-KO002926
RECORD_TITLE: D-Glutamine; 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 G006
CH$NAME: D-Gln
CH$NAME: D-2-Aminoglutaramic acid
CH$NAME: D-Glutamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10N2O3
CH$EXACT_MASS: 146.06914
CH$SMILES: NC(=O)CCC(N)C(O)=O
CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
CH$LINK: CAS
5959-95-5
CH$LINK: CHEBI
17061
CH$LINK: CHEMPDB DGN
CH$LINK: KEGG
C00819
CH$LINK: NIKKAJI
J9.211H
CH$LINK: PUBCHEM
SID:4077
CH$LINK: INCHIKEY
ZDXPYRJPNDTMRX-GSVOUGTGSA-N
CH$LINK: COMPTOX
DTXSID6046345
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 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-2a135ed194fe5a09dd85
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
41.100 212871.5 4
56.300 1227724.0 25
66.900 24752.5 1
70.300 24752.5 1
72.900 39604.0 1
83.100 64356.5 1
84.100 48618860.5 999
101.900 108911.0 2
129.800 1445546.0 30
//
system version 2.2.6-SNAPSHOT