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MassBank Record: PT200560

L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine, (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; LC-ESI-QTOF; MS2

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

ACCESSION: PT200560
RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine, (2S)-2-amino-3-(4-hydroxyphenyl)propanoic 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$NAME: L-Tyr
CH$NAME: (-)-alpha-Amino-p-hydroxyhydrocinnamic acid
CH$NAME: L-2-Amino-3-p-hydroxyphenylpropanoic acid
CH$NAME: L-Tyrosine
CH$NAME: (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid
CH$NAME: 4-Hydroxyphenylalanine
CH$NAME: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Tyrosine
CH$FORMULA: C9H11NO3
CH$EXACT_MASS: 181.191
CH$SMILES: C1=CC(=CC=C1CC(C(=O)O)N)O
CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
CH$LINK: CAS 60-18-4
CH$LINK: INCHIKEY OUYCCCASQSFEME-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 180.06609

PK$SPLASH: splash10-001i-1900000000-571c365754ff408549e4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  72.0099 64.18 131
  93.035 66.93 136
  119.05 186.9 380
  163.0399 235.4 479
  180.0661 490.8 999
//

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