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MassBank Record: PT206160

(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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT206160
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 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 194.08174

PK$SPLASH: splash10-001l-0900000000-2215f784e70e7cef21c7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  133.0657 267.2 999
  134.0617 35.46 133
  194.0817 246.2 920
//

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