MassBank Record: PB006084



 Tryptophan; 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: PB006084
RECORD_TITLE: Tryptophan; 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: 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 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kg-0900000000-b1fdf0c754d5a54a9297 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 115.053 1021.021 101 116.056 150.150 14 117.058 1281.281 127 118.064 6106.106 609 119.067 570.571 56 126.046 10.010 0 127.053 260.260 25 128.052 160.160 15 129.055 30.030 2 130.064 1341.341 133 131.068 200.200 19 132.079 2512.512 250 133.082 230.230 22 140.048 90.090 8 141.055 40.040 3 142.064 2122.122 211 143.071 4124.124 411 144.079 4224.224 421 145.075 460.460 45 145.967 10.010 0 146.059 10000.000 999 147.062 940.941 93 148.065 20.020 1 158.082 70.070 6 159.090 1381.381 137 160.078 330.330 32 161.074 20.020 1 170.058 2272.272 226 171.061 230.230 22 188.069 670.671 66 189.071 90.090 8 //