ACCESSION: MSBNK-RIKEN_ReSpect-PS036202
RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; 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, H6002(H5534).
COMMENT: PRIMe compound in-house ID 362
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$NAME: Hyp
CH$NAME: Hypro
CH$NAME: trans-4-Hydroxy-L-proline
CH$NAME: (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid
CH$NAME: Oxaceprol
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Proline
CH$FORMULA: C₅H₉NO₃
CH$EXACT_MASS: 131.131
CH$SMILES: C1C(CNC1C(=O)O)O
CH$IUPAC: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
CH$LINK: CAS 51-35-4
CH$LINK: KEGG C01157
CH$LINK: PUBCHEM CID:5810
CH$LINK: INCHIKEY PMMYEEVYMWASQN-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 132.11

PK$SPLASH: splash10-0019-9300000000-c276a35dbda7449e857e
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  67.0 18134.0 77
  68.0 85041.0 360
  85.0 33369.0 141
  86.0 235994.0 999
  130.0 10300.0 44
  131.0 38109.0 161
  132.0 113466.0 480
//