ACCESSION: MSBNK-Osaka_Univ-OUF00076
RECORD_TITLE: 5-Hydroxy-L-tryptophan; GC-EI-TOF; MS; n TMS; RT:929.009 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$CHROMATOGRAPHY: RETENTION_INDEX 2448.873
AC$CHROMATOGRAPHY: RETENTION_TIME 929.009 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-0390000000-88191cf8140abf0f3205
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  85 3 3
  86 12 12
  87 8 8
  88 5 5
  89 8 8
  90 5 5
  91 6 6
  92 1 1
  93 1 1
  95 1 1
  98 1 1
  99 1 1
  100 99 99
  101 28 28
  102 25 25
  103 13 13
  104 2 2
  105 2 2
  114 4 4
  115 15 15
  116 6 6
  117 13 13
  118 6 6
  119 4 4
  121 1 1
  127 2 2
  128 16 16
  129 25 25
  130 30 30
  131 15 15
  132 21 21
  133 15 15
  134 5 5
  135 3 3
  140 1 1
  141 2 2
  142 10 10
  143 10 10
  144 13 13
  145 8 8
  146 43 43
  147 73 73
  148 16 16
  149 7 7
  152 2 2
  154 2 2
  155 2 2
  156 4 4
  157 3 3
  158 4 4
  159 5 5
  160 8 8
  161 3 3
  162 3 3
  163 5 5
  164 1 1
  168 1 1
  169 1 1
  170 5 5
  171 2 2
  172 7 7
  173 3 3
  174 9 9
  175 3 3
  176 9 9
  177 3 3
  178 1 1
  184 3 3
  185 4 4
  186 6 6
  187 3 3
  188 23 23
  189 9 9
  190 8 8
  191 2 2
  198 1 1
  199 1 1
  200 4 4
  201 3 3
  202 32 32
  203 19 19
  204 22 22
  205 6 6
  206 7 7
  207 1 1
  213 1 1
  214 4 4
  215 3 3
  216 20 20
  217 19 19
  218 999 999
  219 245 245
  220 96 96
  221 17 17
  222 3 3
  229 2 2
  230 2 2
  231 4 4
  232 4 4
  233 1 1
  242 1 1
  246 8 8
  247 2 2
  248 1 1
  257 1 1
  258 1 1
  259 1 1
  288 1 1
  290 5 5
  291 2 2
  303 1 1
  304 1 1
  318 2 2
  319 16 16
  320 4 4
  321 1 1
  331 6 6
  332 2 2
  393 4 4
  394 3 3
  395 1 1
  421 3 3
  422 1 1
  436 6 6
  437 3 3
  438 1 1
//