ACCESSION: MSBNK-RIKEN-PR010038
RECORD_TITLE: L-Tyrosine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Tyrosine
CH$NAME: (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
CH$NAME: (S)-3-(p-Hydroxyphenyl)alanine
CH$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
CH$LINK: CHEMPDB TYR
CH$LINK: KEGG C00082
CH$LINK: NIKKAJI J9.173A
CH$LINK: PUBCHEM 3382
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$CHROMATOGRAPHY: RETENTION_INDEX 1932.3
AC$CHROMATOGRAPHY: RETENTION_TIME 469.708 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C18H35NO3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 397.19247
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00xr-9450000000-6d4550940f4dde6f18ff
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 8 8
  62 1 1
  63 3 3
  64 1 1
  65 4 4
  66 3 3
  67 1 1
  70 4 4
  71 3 3
  72 17 17
  73 999 999
  74 93 93
  75 75 75
  76 7 7
  77 19 19
  78 5 5
  79 6 6
  82 2 2
  83 2 2
  84 3 3
  85 3 3
  86 9 9
  87 3 3
  88 1 1
  89 9 9
  90 7 7
  91 17 17
  92 2 2
  93 1 1
  95 2 2
  98 1 1
  99 1 1
  100 202 202
  101 26 26
  102 11 11
  103 12 12
  104 3 3
  105 9 9
  106 1 1
  107 2 2
  109 1 1
  115 8 8
  116 3 3
  117 11 11
  118 6 6
  119 6 6
  120 1 1
  121 2 2
  123 1 1
  128 1 1
  129 1 1
  130 18 18
  131 14 14
  132 21 21
  133 23 23
  134 5 5
  135 9 9
  136 1 1
  137 1 1
  144 2 2
  145 3 3
  146 6 6
  147 93 93
  148 18 18
  149 21 21
  150 3 3
  151 3 3
  158 2 2
  159 3 3
  160 5 5
  161 3 3
  162 2 2
  163 16 16
  164 6 6
  165 8 8
  166 1 1
  172 1 1
  174 5 5
  175 3 3
  176 6 6
  177 6 6
  178 1 1
  179 53 53
  180 12 12
  181 4 4
  182 1 1
  188 1 1
  190 3 3
  191 2 2
  192 11 11
  193 3 3
  194 1 1
  202 1 1
  203 4 4
  204 1 1
  205 1 1
  206 1 1
  207 4 4
  208 1 1
  209 1 1
  217 1 1
  218 537 537
  219 107 107
  220 48 48
  221 6 6
  222 1 1
  223 1 1
  248 1 1
  250 1 1
  264 1 1
  265 6 6
  266 2 2
  267 1 1
  278 1 1
  279 3 3
  280 49 49
  281 13 13
  282 5 5
  292 1 1
  354 11 11
  355 5 5
  356 2 2
  382 5 5
  383 2 2
//