ACCESSION: MSBNK-Kazusa-KZ000054
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_01582_P000135

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 2017.7
AC$CHROMATOGRAPHY: RETENTION_TIME 931.512 sec

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

PK$SPLASH: splash10-014i-0690000000-cbbf40bb26fc84f2aead
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 3 3
  85 4 4
  86 15 15
  87 6 6
  88 1 1
  89 15 15
  90 10 10
  91 25 25
  92 4 4
  95 3 3
  97 1 1
  98 2 2
  99 2 2
  100 292 292
  101 46 46
  102 21 21
  103 16 16
  104 6 6
  105 14 14
  106 3 3
  107 4 4
  108 1 1
  109 1 1
  110 1 1
  115 12 12
  116 4 4
  117 16 16
  118 10 10
  119 10 10
  120 2 2
  121 4 4
  123 1 1
  128 2 2
  129 2 2
  130 24 24
  131 19 19
  132 31 31
  133 33 33
  134 9 9
  135 13 13
  136 2 2
  137 2 2
  138 1 1
  140 1 1
  142 1 1
  143 2 2
  144 3 3
  145 5 5
  146 10 10
  147 133 133
  148 32 32
  149 35 35
  150 7 7
  151 6 6
  152 1 1
  157 1 1
  158 3 3
  159 5 5
  160 9 9
  161 5 5
  162 4 4
  163 24 24
  164 9 9
  165 10 10
  166 2 2
  167 1 1
  172 1 1
  173 1 1
  174 8 8
  175 6 6
  176 8 8
  177 7 7
  178 2 2
  179 65 65
  180 18 18
  181 6 6
  182 2 2
  188 1 1
  189 1 1
  190 5 5
  191 3 3
  192 12 12
  193 5 5
  194 2 2
  195 1 1
  203 6 6
  204 2 2
  205 1 1
  206 1 1
  207 7 7
  208 2 2
  209 2 2
  216 1 1
  217 3 3
  218 999 999
  219 232 232
  220 108 108
  221 15 15
  222 3 3
  223 3 3
  248 2 2
  249 1 1
  250 2 2
  251 1 1
  264 3 3
  265 10 10
  266 4 4
  267 2 2
  278 2 2
  279 6 6
  280 99 99
  281 33 33
  282 13 13
  283 3 3
  292 3 3
  293 1 1
  353 1 1
  354 21 21
  355 12 12
  356 7 7
  357 2 2
  358 1 1
  382 10 10
  383 4 4
  384 2 2
//