ACCESSION: MSBNK-Osaka_Univ-OUF00077
RECORD_TITLE: 5-Hydroxy-L-tryptophan; GC-EI-TOF; MS; n TMS; RT:921.609 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 5-Hydroxy-L-tryptophan
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₂N₂O₃
CH$EXACT_MASS: 220.08479
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
CH$LINK: CAS 4350-09-8
CH$LINK: CHEBI 17780
CH$LINK: CHEMSPIDER 388413
CH$LINK: KEGG C00643
CH$LINK: PUBCHEM CID:439280
CH$LINK: INCHIKEY LDCYZAJDBXYCGN-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID1025437

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 2425.639
AC$CHROMATOGRAPHY: RETENTION_TIME 921.609 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0006-0290000000-a30ea02ff8d4d14ba7a4
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  85 4 4
  86 9 9
  87 5 5
  88 3 3
  89 5 5
  93 2 2
  97 1 1
  100 72 72
  101 31 31
  102 12 12
  103 8 8
  105 5 5
  112 1 1
  113 1 1
  115 12 12
  116 5 5
  117 10 10
  118 2 2
  119 5 5
  121 3 3
  128 10 10
  129 12 12
  130 14 14
  131 17 17
  132 28 28
  133 19 19
  134 4 4
  135 3 3
  140 1 1
  141 1 1
  142 6 6
  143 3 3
  144 5 5
  145 5 5
  146 16 16
  147 78 78
  148 15 15
  149 7 7
  154 3 3
  155 3 3
  156 4 4
  157 1 1
  158 5 5
  159 6 6
  160 5 5
  161 2 2
  163 1 1
  169 3 3
  170 3 3
  171 2 2
  172 13 13
  173 3 3
  174 9 9
  175 7 7
  176 3 3
  177 2 2
  182 2 2
  184 4 4
  185 3 3
  186 17 17
  187 6 6
  188 7 7
  189 3 3
  190 7 7
  191 2 2
  192 1 1
  193 1 1
  194 1 1
  196 4 4
  198 2 2
  199 2 2
  200 10 10
  201 6 6
  202 91 91
  203 30 30
  204 18 18
  205 6 6
  206 1 1
  214 3 3
  215 3 3
  216 10 10
  217 10 10
  218 61 61
  219 16 16
  220 3 3
  227 1 1
  228 1 1
  229 1 1
  230 4 4
  231 3 3
  232 5 5
  233 4 4
  244 1 1
  245 1 1
  246 5 5
  248 5 5
  249 1 1
  258 2 2
  260 14 14
  261 5 5
  262 4 4
  272 3 3
  274 4 4
  275 5 5
  276 7 7
  277 3 3
  278 6 6
  279 2 2
  286 2 2
  287 3 3
  288 41 41
  289 30 30
  290 999 999
  291 399 399
  292 144 144
  293 38 38
  294 7 7
  295 2 2
  303 2 2
  304 2 2
  315 1 1
  318 6 6
  320 1 1
  321 1 1
  329 1 1
  330 1 1
  362 1 1
  391 3 3
  392 2 2
  403 4 4
  405 1 1
  465 1 1
  485 1 1
  491 1 1
  493 3 3
  494 2 2
//