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MassBank Record: MSBNK-RIKEN_ReSpect-PS100006

Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PS100006
RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; 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 TCI, G0137.
COMMENT: PRIMe compound in-house ID N0058
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$NAME: Glycylproline
CH$NAME: GP-OH
CH$NAME: Glycyl-L-proline
CH$NAME: Gly-Pro
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Proline
CH$FORMULA: C7H12N2O3
CH$EXACT_MASS: 172.184
CH$SMILES: C1CC(N(C1)C(=O)CN)C(=O)O
CH$IUPAC: InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
CH$LINK: CAS 704-15-4
CH$LINK: PUBCHEM CID:3013625
CH$LINK: INCHIKEY KZNQNBZMBZJQJO-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 60

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 173.2

PK$SPLASH: splash10-00di-9000000000-a5eb2f235c2156f89455
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  28.0 5341.0 64
  30.0 4993.0 60
  67.0 4635.0 55
  69.0 4700.0 56
  70.0 83599.0 999
  171.0 7211.0 86
//

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