ACCESSION: MSBNK-RIKEN_ReSpect-PT203070
RECORD_TITLE: (2S)-2-formamido-4-methylsulfanylbutanoic acid, N-Formyl-L-methionine, fMet, For-Met, (S)-2-Formylamino-4-(methylthio)butanoic 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$NAME: (2S)-2-formamido-4-methylsulfanylbutanoic acid
CH$NAME: N-Formyl-L-methionine
CH$NAME: fMet
CH$NAME: For-Met
CH$NAME: (S)-2-Formylamino-4-(methylthio)butanoic Acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Methionine
CH$FORMULA: C₆H₁₁NO₃S
CH$EXACT_MASS: 177.223
CH$SMILES: CSCCC(C(=O)O)NC=O
CH$IUPAC: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)
CH$LINK: CAS 4289-98-9
CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-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 NEGATIVE
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 176.03816

PK$SPLASH: splash10-004i-4900000000-b9244ecfa5c3afeec4c8
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  84.0466 24.38 207
  98.025 91.13 775
  128.0352 95.86 816
  176.0382 117.4 999
//