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) \n

ACCESSION: PR100299
RECORD_TITLE: O-Succinyl-L-Homoserine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., 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$LINK: INCHIKEY GNISQJGXJIDKDJ-YFKPBYRVSA-N
AC$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$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$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 //