ACCESSION: MSBNK-RIKEN_ReSpect-PT102730
RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, (2S)-2,5-diamino-5-oxopentanoic acid, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-Glutamic acid 5-amide
CH$NAME: Levoglutamide
CH$NAME: Cebrogen
CH$NAME: L-2-Aminoglutaramic acid
CH$NAME: Q
CH$NAME: (2S)-2,5-diamino-5-oxopentanoic acid
CH$NAME: Glumin
CH$NAME: (S)-2,5-Diamino-5-oxopentanoic acid
CH$NAME: L-Glutamine
CH$NAME: Gln
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glutamine
CH$FORMULA: C₅H₁₀N₂O₃
CH$EXACT_MASS: 146.146
CH$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: CAS 56-85-9
CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 147.07694

PK$SPLASH: splash10-001i-9600000000-0723ffc1b0c4b8715831
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  84.0447 799.0 999
  130.0502 462.2 578
  147.0769 74.8 94
//