MassBank Record: PB006083



 Tryptophan; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006083
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-a765305b14a15909ae5b PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 115.053 130.130 12 116.055 20.020 1 117.058 240.240 23 118.064 1631.632 162 119.067 140.140 13 127.052 40.040 3 128.054 20.020 1 130.063 310.310 30 131.068 40.040 3 132.079 870.871 86 133.083 70.070 6 140.047 10.010 0 142.064 490.490 48 143.071 660.661 65 144.079 2532.532 252 145.080 240.240 23 146.058 10000.000 999 147.062 840.841 83 148.064 20.020 1 159.090 1181.181 117 160.081 200.200 19 161.079 10.010 0 170.058 1151.151 114 171.061 120.120 11 188.069 3453.453 344 189.071 390.390 38 190.074 10.010 0 //