ACCESSION: MSBNK-Osaka_Univ-OUF00480
RECORD_TITLE: Tyramine; GC-EI-TOF; MS; n TMS; RT:737.844 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$NAME: Tyramine
CH$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: CHEBI 15760
CH$LINK: CHEMSPIDER 5408
CH$LINK: KEGG C00483
CH$LINK: PUBCHEM CID:5610
CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1913.437
AC$CHROMATOGRAPHY: RETENTION_TIME 737.844 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00di-2900000000-80980d19fa83d4b86f91
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  85 9 9
  86 366 366
  87 37 37
  88 15 15
  89 16 16
  90 12 12
  91 23 23
  92 2 2
  93 2 2
  95 3 3
  97 1 1
  99 4 4
  100 163 163
  101 27 27
  102 44 44
  103 15 15
  104 7 7
  105 11 11
  106 2 2
  107 5 5
  109 2 2
  113 4 4
  114 4 4
  115 9 9
  116 17 17
  117 30 30
  118 6 6
  119 8 8
  120 1 1
  121 6 6
  122 1 1
  123 2 2
  125 2 2
  128 1 1
  129 3 3
  130 39 39
  131 27 27
  132 8 8
  133 14 14
  134 4 4
  135 13 13
  136 2 2
  137 2 2
  142 1 1
  143 2 2
  144 9 9
  145 7 7
  146 9 9
  147 11 11
  148 5 5
  149 30 30
  150 6 6
  151 6 6
  152 1 1
  158 10 10
  159 4 4
  160 5 5
  161 6 6
  162 7 7
  163 16 16
  164 13 13
  165 12 12
  166 2 2
  169 1 1
  172 10 10
  173 4 4
  174 999 999
  175 187 187
  176 85 85
  177 19 19
  178 4 4
  179 42 42
  180 11 11
  181 3 3
  190 10 10
  191 3 3
  192 4 4
  193 8 8
  194 2 2
  195 2 2
  206 1 1
  207 6 6
  208 2 2
  209 2 2
  219 1 1
  221 2 2
  222 1 1
  223 5 5
  224 1 1
  232 1 1
  233 1 1
  234 1 1
  235 1 1
  237 2 2
  248 5 5
  249 2 2
  250 14 14
  251 4 4
  252 1 1
  264 12 12
  265 4 4
  266 2 2
  337 1 1
  338 30 30
  339 12 12
  340 5 5
  341 1 1
//