ACCESSION: MSBNK-RIKEN_ReSpect-PT100543
RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe, (2S)-2-amino-3-phenylpropanoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.24
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$NAME: L-(-)-Phenylalanine
CH$NAME: L-2-Amino-3-phenylpropionic acid
CH$NAME: (S)-alpha-Amino-benzenepropanoic acid
CH$NAME: (S)-a-Aminohydrocinnamic acid
CH$NAME: L-Phe
CH$NAME: (2S)-2-amino-3-phenylpropanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Phenylalanine
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.192
CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
CH$LINK: CAS 63-91-2
CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-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 30 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 166.08677

PK$SPLASH: splash10-01b9-0900000000-ddc97bf483f1a3361fd7
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
120.082 69.13 603
166.0868 114.5 999
//