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MassBank Record: PR100299

O-Succinyl-L-Homoserine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

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

ACCESSION: PR100299
RECORD_TITLE: O-Succinyl-L-Homoserine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: O-Succinyl-L-Homoserine
CH$NAME: O-Succinylhomoserine
CH$NAME: (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid
CH$COMPOUND_CLASS: Amino acids
CH$FORMULA: C8H13NO6
CH$EXACT_MASS: 219.07429
CH$SMILES: OC(=O)CCC(=O)OCCC(N)C(O)=O
CH$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)/t5-/m0/s1
CH$LINK: CAS 1492-23-5
CH$LINK: CHEMSPIDER 388523
CH$LINK: KAPPAVIEW KPC00851
CH$LINK: KEGG C01118
CH$LINK: KNAPSACK C00019621
CH$LINK: PUBCHEM CID:439406
CH$LINK: INCHIKEY GNISQJGXJIDKDJ-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID60164192

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 220.08208
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0fk9-5910000000-24306181c3594063ba39
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  73.0298 218.4 113
  74.0249 340 175
  74.0612 1050 542
  84.0457 239.4 123
  101.0247 557.7 288
  102.0557 1937 999
  120.0668 579.4 299
  220.0821 547.1 282
//

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