MassBank Record: PB000414



 Tyrosine; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000414
RECORD_TITLE: Tyrosine; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9200000000-a6ce35121db3a9efce0a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 43.019 35.425 2 51.025 44.123 3 55.020 29.036 1 65.039 538.335 52 67.055 115.922 10 77.039 2008.477 199 78.043 37.133 2 79.055 95.648 8 81.070 91.220 8 91.054 10000.000 999 92.057 177.916 16 93.062 77.429 6 94.044 108.521 9 95.050 3722.482 371 96.054 53.359 4 103.056 178.391 16 105.046 119.718 10 107.049 1315.030 130 108.070 63.987 5 109.066 165.391 15 117.060 92.042 8 118.066 196.989 18 119.052 1530.143 152 120.057 60.919 5 123.043 632.275 62 136.076 303.391 29 //