MassBank Record: PT110550

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(2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid, 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QTOF; MS2
Mass Spectrum
Chemical Structure
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ACCESSION: PT110550
RECORD_TITLE: (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid, 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; 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$NAME: (2S)-2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid CH$NAME: 3-Chloro-L-tyrosine hydrochloride CH$NAME: Tyr(3-Cl) CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Tyrosine CH$FORMULA: C9H10ClNO3 CH$EXACT_MASS: 215.636 CH$SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O CH$IUPAC: InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14) CH$LINK: CAS 7423-93-0 CH$LINK: INCHIKEY ACWBBAGYTKWBCD-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 216.04272
PK$SPLASH: splash10-00di-0900000000-354e1f85ecfd24c7ac67 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 106.0662 60.62 123 125.0168 103.4 209 129.0109 69.91 142 134.061 139.7 283 135.0687 234.8 475 153.0109 104.5 212 157.0058 137.1 278 170.038 493.4 999 181.0066 52.65 107 199.0165 116.6 236 216.0427 68.24 138 //