ACCESSION: MSBNK-Kazusa-KZ000164
RECORD_TITLE: L-Tyrosine; GC-EI-TOF; MS; 3 TMS; BP:218
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04905_P000028

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: KEGG C00082
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1741.02 sec

MS$FOCUSED_ION: BASE_PEAK 218
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-014i-0890000000-5749069211ba15d713ef
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  82 4 4
  83 4 4
  84 11 11
  85 6 6
  86 20 20
  87 7 7
  88 2 2
  89 19 19
  90 14 14
  91 37 37
  92 4 4
  93 2 2
  95 4 4
  96 1 1
  97 1 1
  98 2 2
  99 3 3
  100 378 378
  101 52 52
  102 22 22
  103 24 24
  104 8 8
  105 19 19
  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 21 21
  118 14 14
  119 12 12
  120 2 2
  121 5 5
  122 1 1
  123 2 2
  128 2 2
  129 2 2
  130 35 35
  131 28 28
  132 40 40
  133 41 41
  134 10 10
  135 19 19
  136 3 3
  137 2 2
  142 1 1
  143 1 1
  144 4 4
  145 7 7
  146 11 11
  147 172 172
  148 33 33
  149 41 41
  150 7 7
  151 7 7
  152 1 1
  157 1 1
  158 4 4
  159 6 6
  160 11 11
  161 7 7
  162 5 5
  163 33 33
  164 11 11
  165 15 15
  166 3 3
  167 1 1
  172 2 2
  173 1 1
  174 10 10
  175 8 8
  176 10 10
  177 9 9
  178 3 3
  179 84 84
  180 20 20
  181 6 6
  182 2 2
  188 2 2
  189 1 1
  190 7 7
  191 3 3
  192 19 19
  193 6 6
  194 1 1
  195 1 1
  202 1 1
  203 8 8
  204 2 2
  205 2 2
  206 2 2
  207 12 12
  208 3 3
  209 3 3
  216 1 1
  217 5 5
  218 999 999
  219 178 178
  220 74 74
  221 11 11
  222 2 2
  223 3 3
  224 1 1
  234 1 1
  237 1 1
  248 2 2
  249 1 1
  250 2 2
  251 1 1
  264 3 3
  265 11 11
  266 4 4
  267 2 2
  278 2 2
  279 9 9
  280 80 80
  281 22 22
  282 8 8
  283 1 1
  291 1 1
  292 3 3
  293 1 1
  353 4 4
  354 21 21
  355 10 10
  356 5 5
  357 1 1
  381 2 2
  382 8 8
  383 3 3
  384 1 1
//