MassBank Record: PB000412



 Tyrosine; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000412
RECORD_TITLE: Tyrosine; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 252
COMMENT: CONFIDENCE: confident structure

CH$NAME: Tyrosine CH$NAME: 2-amino-3-(4-hydroxyphenyl)propanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C9H11NO3 CH$EXACT_MASS: 181.07389 CH$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: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: KEGG C00082 CH$LINK: PUBCHEM CID:1153
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kr-0900000000-87801ed16c51bc9eea00 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 91.055 379.651 36 95.050 152.512 14 119.052 2022.695 201 121.066 129.015 11 123.043 3869.339 385 136.076 10000.000 999 137.076 212.706 20 147.045 2050.390 204 165.057 3566.153 355 182.082 222.460 21 //