ACCESSION: MSBNK-RIKEN_ReSpect-PT106590
RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride, (2S)-4-acetyloxy-2-aminobutanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Ac-HSer
CH$NAME: (2S)-4-(acetyloxy)-2-aminobutanoic acid
CH$NAME: O-Acetyl-L-homoserine hydrochloride
CH$NAME: (2S)-4-acetyloxy-2-aminobutanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C₆H₁₁NO₄
CH$EXACT_MASS: 161.157
CH$SMILES: CC(=O)OCCC(C(=O)O)N
CH$IUPAC: InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)
CH$LINK: CAS 7540-67-2
CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 162.0766

PK$SPLASH: splash10-0fk9-6900000000-17b7e76bc8d5bbed603a
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  56.0508 71.7 97
  74.0241 184.0 248
  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
//