MassBank Record: MSBNK-IPB_Halle-PB000468
ACCESSION: MSBNK-IPB_Halle-PB000468
RECORD_TITLE: Glutamine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 265
COMMENT: CONFIDENCE confident structure
CH$NAME: Glutamine
CH$NAME: 2,5-diamino-5-oxopentanoic acid
CH$COMPOUND_CLASS: Natural Product; amino acid
CH$FORMULA: C5H10N2O3
CH$EXACT_MASS: 146.06914
CH$SMILES: C(CC(=O)N)C(C(=O)O)N
CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
CH$LINK: INCHIKEY
ZDXPYRJPNDTMRX-UHFFFAOYSA-N
CH$LINK: KEGG
C00064
CH$LINK: PUBCHEM
CID:738
CH$LINK: COMPTOX
DTXSID1044304
AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-379417f822aa7aaf53f7
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
41.040 258.777 24
56.051 1550.778 154
74.024 58.909 4
84.045 10000.000 999
85.029 200.809 19
102.058 146.219 13
130.051 195.827 18
//