ACCESSION: MSBNK-Osaka_Univ-OUF00332
RECORD_TITLE: L-Tyrosine; GC-EI-TOF; MS; n TMS; RT:745.562 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$NAME: L-Tyrosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₁₁NO₃
CH$EXACT_MASS: 181.07389
CH$SMILES: OC(=O)C(N)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
CH$LINK: CAS 60-18-4
CH$LINK: CHEBI 17895 32760 32761 32762
CH$LINK: CHEMSPIDER 5833
CH$LINK: KEGG C00082 D00022
CH$LINK: PUBCHEM CID:6057
CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID1023730

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$CHROMATOGRAPHY: RETENTION_INDEX 1933.001
AC$CHROMATOGRAPHY: RETENTION_TIME 745.562 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-0890000000-848b2a4f247a0b3f14e8
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  85 7 7
  86 20 20
  87 8 8
  88 3 3
  89 18 18
  90 15 15
  91 37 37
  92 5 5
  93 3 3
  95 4 4
  96 1 1
  97 1 1
  98 2 2
  99 3 3
  100 347 347
  101 47 47
  102 21 21
  103 25 25
  104 8 8
  105 18 18
  106 3 3
  107 5 5
  108 1 1
  109 2 2
  110 1 1
  113 1 1
  114 1 1
  115 16 16
  116 7 7
  117 23 23
  118 13 13
  119 13 13
  120 2 2
  121 6 6
  123 2 2
  128 2 2
  129 3 3
  130 39 39
  131 29 29
  132 44 44
  133 46 46
  134 11 11
  135 19 19
  136 3 3
  137 2 2
  143 1 1
  144 5 5
  145 7 7
  146 13 13
  147 171 171
  148 34 34
  149 45 45
  150 8 8
  151 8 8
  152 1 1
  158 5 5
  159 7 7
  160 12 12
  161 8 8
  162 5 5
  163 34 34
  164 15 15
  165 17 17
  166 3 3
  167 1 1
  172 2 2
  173 1 1
  174 11 11
  175 8 8
  176 11 11
  177 11 11
  178 3 3
  179 135 135
  180 31 31
  181 9 9
  182 3 3
  188 2 2
  189 1 1
  190 8 8
  191 4 4
  192 23 23
  193 8 8
  194 2 2
  195 1 1
  202 2 2
  203 10 10
  204 3 3
  205 3 3
  206 2 2
  207 12 12
  208 7 7
  209 4 4
  216 1 1
  217 4 4
  218 999 999
  219 203 203
  220 89 89
  221 13 13
  222 3 3
  223 4 4
  224 1 1
  232 1 1
  234 1 1
  248 2 2
  249 1 1
  250 1 1
  264 2 2
  265 10 10
  266 4 4
  267 2 2
  278 1 1
  279 6 6
  280 74 74
  281 21 21
  282 8 8
  283 1 1
  292 3 3
  293 1 1
  353 1 1
  354 17 17
  355 10 10
  356 5 5
  357 1 1
  382 8 8
  383 4 4
  384 1 1
//