MassBank Record: PB006082



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

ACCESSION: PB006082
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:10 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: 2721
COMMENT: CONFIDENCE: confident structure

CH$NAME: Tryptophan CH$NAME: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H12N2O2 CH$EXACT_MASS: 204.08988 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: PUBCHEM CID:6305
AC$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 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-c85ba4facf645f32c4c7 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 115.052 10.010 0 117.058 30.030 2 118.064 220.220 21 119.067 10.010 0 130.063 60.060 5 132.079 230.230 22 133.082 20.020 1 142.063 60.060 5 143.071 60.060 5 144.079 730.731 72 145.082 60.060 5 146.058 4034.034 402 147.062 310.310 30 159.090 640.641 63 160.083 80.080 7 170.058 300.300 29 171.061 30.030 2 188.069 10000.000 999 189.072 990.991 98 190.075 30.030 2 205.095 90.090 8 206.097 10.010 0 //