MassBank Record: PR010037



 L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010037
RECORD_TITLE: L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Tryptophane CH$NAME: L-Tryptophan CH$NAME: (S)-alpha-Amino-beta-(3-indolyl)-propionic acid CH$NAME: Tryptophan CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H12N2O2 CH$EXACT_MASS: 204.08988 CH$SMILES: OC(=O)[C@H](N)Cc(c1)c(c2)c(ccc2)n1 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: CAS 73-22-3 CH$LINK: CHEBI 16828 CH$LINK: CHEMPDB TRP CH$LINK: KEGG C00078 CH$LINK: NIKKAJI J9.181B CH$LINK: PUBCHEM 3378
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 2216.3 AC$CHROMATOGRAPHY: RETENTION_TIME 523.416 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C20H36N2O2Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 420.20846 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fk9-9270000000-9761607cbe821f87f172 PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 60 3 3 61 3 3 62 1 1 63 2 2 66 1 1 67 1 1 70 4 4 71 3 3 72 15 15 73 999 999 74 89 89 75 50 50 76 6 6 77 15 15 78 2 2 79 3 3 83 1 1 84 4 4 85 1 1 86 5 5 87 2 2 89 1 1 91 1 1 93 1 1 100 39 39 101 19 19 102 10 10 103 7 7 104 1 1 105 2 2 114 1 1 115 6 6 116 2 2 117 4 4 118 1 1 119 2 2 128 3 3 129 14 14 130 26 26 131 11 11 132 13 13 133 8 8 134 3 3 135 1 1 142 1 1 143 2 2 144 3 3 145 8 8 146 4 4 147 31 31 148 5 5 149 2 2 156 4 4 157 1 1 158 3 3 159 3 3 160 4 4 161 1 1 163 1 1 169 1 1 170 4 4 171 1 1 172 4 4 173 1 1 174 3 3 184 3 3 185 1 1 186 7 7 187 3 3 188 5 5 189 1 1 190 7 7 191 1 1 198 1 1 199 4 4 200 21 21 201 6 6 202 704 704 203 144 144 204 43 43 205 6 6 214 1 1 215 2 2 216 1 1 218 27 27 219 5 5 220 2 2 229 1 1 230 5 5 231 1 1 248 1 1 288 1 1 290 1 1 291 59 59 292 17 17 293 8 8 294 1 1 302 1 1 303 4 4 304 1 1 377 1 1 378 1 1 405 2 2 406 1 1 //