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MassBank Record: PS064001

O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQ; MS2

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

ACCESSION: PS064001
RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic 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 SIGMA, S7129.
COMMENT: PRIMe compound in-house ID S0027
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$NAME: O-Succinylhomoserine
CH$NAME: O-Succinyl-L-homoserine
CH$NAME: (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C8H13NO6
CH$EXACT_MASS: 219.193
CH$SMILES: C(COC(=O)CCC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)
CH$LINK: CAS 1492-23-5
CH$LINK: KEGG C01118
CH$LINK: PUBCHEM CID:439406
CH$LINK: INCHIKEY GNISQJGXJIDKDJ-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 220.24

PK$SPLASH: splash10-00di-0090000000-87eecf8bc8d6ed6ef8e3
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  102.0 81842.0 71
  219.0 150410.0 130
  220.0 1156778.0 999
//

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