MassBank Record: PB006121



 Phenylglycine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006121
RECORD_TITLE: Phenylglycine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.27, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2761
COMMENT: CONFIDENCE: confident structure

CH$NAME: Phenylglycine CH$NAME: 2-amino-2-phenylacetic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H9NO2 CH$EXACT_MASS: 151.06333 CH$SMILES: C1=CC=C(C=C1)C(C(=O)O)N CH$IUPAC: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11) CH$LINK: INCHIKEY ZGUNAGUHMKGQNY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3866
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-04069023db5873b4f33e PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 106.070 100.100 9 107.046 380.380 37 116.971 30.030 2 134.946 110.110 10 135.042 10000.000 999 136.047 610.611 60 170.960 30.030 2 390.349 20.020 1 412.169 30.030 2 536.829 20.020 1 //