ACCESSION: MSBNK-RIKEN_ReSpect-PS027302
RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, G3126.
COMMENT: PRIMe compound in-house ID 273
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: L-Glutamic acid 5-amide
CH$NAME: Levoglutamide
CH$NAME: Cebrogen
CH$NAME: L-2-Aminoglutaramic acid
CH$NAME: Q
CH$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: KEGG C00064
CH$LINK: PUBCHEM CID:5961
CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 147.14

PK$SPLASH: splash10-001i-9700000000-a25d2846fea97b6da101
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  83.0 60300.0 364
  84.0 165677.0 999
  101.0 12623.0 76
  102.0 5368.0 32
  129.0 18205.0 110
  130.0 99364.0 599
  146.0 9391.0 57
  147.0 32043.0 193
//