MassBank Record: PB006081



 Phenylalanine; 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: PB006081
RECORD_TITLE: Phenylalanine; 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: 2701
COMMENT: CONFIDENCE: confident structure

CH$NAME: Phenylalanine CH$NAME: (2S)-2-amino-3-phenylpropanoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H11NO2 CH$EXACT_MASS: 165.07898 CH$SMILES: C1=CC=C(C=C1)CC(C(=O)O)N CH$IUPAC: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: PUBCHEM CID:6140
AC$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$SPLASH: splash10-00di-0900000000-48fb6ee11fb845efdcf3 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 103.052 120.120 11 104.056 10.010 0 117.055 50.050 4 118.064 430.430 42 119.070 250.250 24 119.981 10.010 0 120.079 10000.000 999 120.339 10.010 0 121.082 850.851 84 122.084 10.010 0 131.049 40.040 3 //