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MassBank Record: PS064003

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: PS064003
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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 220.24

PK$SPLASH: splash10-0uk9-9800000000-f405a4b8bc32c8552275
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  44.0 3278.0 31
  55.0 10816.0 103
  56.0 51052.0 485
  73.0 44336.0 421
  74.0 105174.0 999
  84.0 14982.0 142
  100.0 14745.0 140
  101.0 79384.0 754
  102.0 98829.0 939
  119.0 4082.0 39
  120.0 16241.0 154
  220.0 5343.0 51
//

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