ACCESSION: MSBNK-Kazusa-KZ000078
RECORD_TITLE: Tyramine; GC-EI-TOF; MS; 3 TMS; BP:174
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_01686_P000153

CH$NAME: Tyramine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: CAS 51-67-2
CH$LINK: KEGG C00483
CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2043874

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 1958.3
AC$CHROMATOGRAPHY: RETENTION_TIME 903.612 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-2900000000-273503edc6a220e152b6
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  82 6 6
  83 4 4
  84 15 15
  85 11 11
  86 417 417
  87 40 40
  88 16 16
  89 19 19
  90 14 14
  91 29 29
  92 3 3
  93 3 3
  95 4 4
  96 1 1
  97 1 1
  98 1 1
  99 5 5
  100 192 192
  101 37 37
  102 29 29
  103 17 17
  104 8 8
  105 16 16
  106 2 2
  107 5 5
  109 3 3
  111 1 1
  113 6 6
  114 5 5
  115 11 11
  116 21 21
  117 35 35
  118 6 6
  119 9 9
  120 1 1
  121 8 8
  122 1 1
  123 2 2
  125 2 2
  128 1 1
  129 3 3
  130 46 46
  131 30 30
  132 8 8
  133 17 17
  134 4 4
  135 15 15
  136 2 2
  137 2 2
  143 2 2
  144 10 10
  145 8 8
  146 13 13
  147 13 13
  148 5 5
  149 35 35
  150 5 5
  151 6 6
  158 9 9
  159 3 3
  160 4 4
  161 5 5
  162 6 6
  163 14 14
  164 10 10
  165 9 9
  166 1 1
  169 1 1
  172 10 10
  173 3 3
  174 999 999
  175 182 182
  176 86 86
  177 19 19
  178 4 4
  179 44 44
  180 8 8
  181 2 2
  190 12 12
  191 3 3
  192 4 4
  193 9 9
  194 2 2
  195 2 2
  205 1 1
  206 1 1
  207 8 8
  208 2 2
  209 1 1
  221 2 2
  223 5 5
  224 1 1
  232 1 1
  233 1 1
  234 1 1
  237 2 2
  248 6 6
  249 2 2
  250 17 17
  251 3 3
  252 1 1
  264 12 12
  265 3 3
  266 1 1
  337 2 2
  338 24 24
  339 7 7
  340 2 2
//