ACCESSION: MSBNK-RIKEN_ReSpect-PT103800
RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, (2R)-2-amino-3-hydroxy-2-methylpropanoic acid, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: DL-2-Amino-3-hydroxy-2-methylpropionic Acid
CH$NAME: DL-2-Methylserine
CH$NAME: alpha-Methyl-DL-serine
CH$NAME: (2R)-2-amino-3-hydroxy-2-methylpropanoic acid
CH$NAME: DL-alpha-(Hydroxymethyl)alanine
CH$NAME: 2-Amino-3-hydroxy-2-methylpropanoic Acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C₄H₉NO₃
CH$EXACT_MASS: 119.12
CH$SMILES: CC(CO)(C(=O)O)N
CH$IUPAC: InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
CH$LINK: CAS 5424-29-3
CH$LINK: INCHIKEY CDUUKBXTEOFITR-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 120.06604

PK$SPLASH: splash10-00di-9300000000-ff6b9dc15ce33f1ab797
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  56.0493 34.49 42
  57.0358 8.33 10
  74.0606 816.8 999
  84.0443 66.85 82
  102.0556 146.1 179
  120.066 199.2 244
//