MassBank Record: MSBNK-RIKEN_ReSpect-PT106160
ACCESSION: MSBNK-RIKEN_ReSpect-PT106160
RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl, (3S)-3-amino-4-(4-hydroxyphenyl)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$NAME: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride
CH$NAME: L-beta-homotyrosine-HCl
CH$NAME: (3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Tyrosine
CH$FORMULA: C10H13NO3
CH$EXACT_MASS: 195.218
CH$SMILES: C1=CC(=CC=C1CC(CC(=O)O)N)O
CH$IUPAC: InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)
CH$LINK: CAS
141899-12-9
CH$LINK: INCHIKEY
VUNPIAMEJXBAFP-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 196.09734
PK$SPLASH: splash10-001r-1900000000-f5b35a51eb71bdd8a479
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
91.0552 776.5 325
105.071 906.3 379
119.0508 350.6 147
133.0658 2387.0 999
136.077 1368.0 573
161.0612 373.9 156
179.0707 1083.0 453
196.0973 431.7 181
//