MassBank Record: MSBNK-Keio_Univ-KO002924
ACCESSION: MSBNK-Keio_Univ-KO002924
RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-51bf3e28fa7698abc6f9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
49.800 54455.5 1
54.900 44554.5 1
63.900 14851.5 1
68.700 24752.5 1
73.700 44554.5 1
78.200 49505.0 1
83.000 2198022.0 14
84.200 2782181.0 18
85.400 9901.0 1
88.800 14851.5 1
92.800 29703.0 1
97.800 29703.0 1
100.700 29703.0 1
101.700 74257.5 1
102.200 49505.0 1
111.900 34653.5 1
112.300 44554.5 1
115.400 123762.5 1
128.800 128713.0 1
130.100 152549657.5 999
147.300 2673270.0 18
148.200 366337.0 2
152.800 14851.5 1
//