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MassBank Record: MSBNK-RIKEN_ReSpect-PS061301

L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS061301
RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; 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 Peptech, BL792.
COMMENT: PRIMe compound in-house ID T0135
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$NAME: L-beta-homoserine
CH$NAME: (R)-3-Amino-4-hydroxybutyric acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C4H9NO3
CH$EXACT_MASS: 119.12
CH$SMILES: C(C(CO)N)C(=O)O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
CH$LINK: CAS 16504-56-6
CH$LINK: PUBCHEM CID:1502076
CH$LINK: INCHIKEY BUZICZZQJDLXJN-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 120.11

PK$SPLASH: splash10-00di-1900000000-8433e356b79cc32d8ff2
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  60.0 173333.0 219
  101.0 24969.0 32
  102.0 240859.0 304
  119.0 119555.0 151
  120.0 791473.0 999
//

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