MassBank Record: PB000413



 Tyrosine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000413
RECORD_TITLE: Tyrosine; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00rf-6900000000-cfd732390ff643f7c6d8 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 43.019 36.726 2 65.039 44.097 3 67.055 27.622 1 77.039 500.879 49 81.071 57.420 4 91.054 10000.000 999 92.057 146.946 13 93.070 138.509 12 94.063 54.622 4 95.050 4451.871 444 96.054 53.201 4 103.056 360.949 35 105.046 37.836 2 107.050 520.374 51 108.081 73.140 6 109.066 345.540 33 117.058 27.977 1 118.067 418.902 40 119.052 6940.857 693 120.053 115.550 10 121.066 139.264 12 123.045 6345.789 633 124.048 90.060 8 136.076 5449.988 543 137.073 146.946 13 147.045 594.136 58 165.055 78.691 6 166.988 64.037 5 //