MassBank Record: PR100306



 O-Acetyl-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: PR100306
RECORD_TITLE: O-Acetyl-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$NAME: O-Acetyl-L-homoserine CH$NAME: Ac-HSer CH$NAME: (2S)-4-(acetyloxy)-2-aminobutanoic acid CH$COMPOUND_CLASS: Amino acids CH$FORMULA: C6H11NO4 CH$EXACT_MASS: 161.06881 CH$SMILES: CC(=O)OCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 CH$LINK: CAS 7540-67-2 CH$LINK: CHEMSPIDER 388506 CH$LINK: KEGG C01077 CH$LINK: KNAPSACK C00019570 CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID30996846
AC$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: DATE 2008.07.28 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000) AC$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 162.0766 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fk9-6900000000-17b7e76bc8d5bbed603a PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 56.0508 71.7 97 74.0241 184 248 74.0603 472.7 637 84.0448 137.6 186 102.0549 740.9 999 120.0654 243.1 328 162.0766 134.5 181 //

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