MassBank Record: RP000301



 L-Tyrosine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP000301
RECORD_TITLE: L-Tyrosine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
DATE: 2017.10.20
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 3

CH$NAME: L-Tyrosine CH$NAME: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C9H11NO3 CH$EXACT_MASS: 181.07389 CH$SMILES: c1cc(ccc1C[C@@H](C(=O)O)N)O CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 CH$LINK: CAS 60-18-4 CH$LINK: CHEBI 58315 CH$LINK: KEGG D00022 CH$LINK: PUBCHEM CID:6057 CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: CHEMSPIDER 5833
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.709 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 182.0807 MS$FOCUSED_ION: PRECURSOR_M/Z 182.0812 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-0159-0900000000-d3843f10344d00a6499c PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 58.0037 64 1 60.9921 70 1 61.9874 130 2 63.0072 82 1 74.0148 116 2 91.0539 254 5 93.0205 94 1 95.0492 190 3 95.9842 72 1 104.0449 60 1 105.0344 64 1 119.0487 576 11 123.0442 724 14 129.0893 118 2 136.075 6858 136 141.9896 52 1 147.0433 2222 44 148.0476 384 7 155.0588 58 1 163.085 54 1 165.054 50268 999 168.066 54 1 173.0807 100 1 182.0807 29412 584 184.0856 124 2 //