ACCESSION: MSBNK-Osaka_Univ-OUF00207
RECORD_TITLE: Dopamine; GC-EI-TOF; MS; n TMS; RT:799.743 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$NAME: Dopamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₁₁NO₂
CH$EXACT_MASS: 153.07898
CH$SMILES: NCCc(c1)cc(O)c(O)c1
CH$IUPAC: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
CH$LINK: CAS 51-61-6
CH$LINK: CHEBI 18243
CH$LINK: CHEMSPIDER 661
CH$LINK: KEGG C03758
CH$LINK: PUBCHEM CID:681
CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022420

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$CHROMATOGRAPHY: RETENTION_INDEX 2073.607
AC$CHROMATOGRAPHY: RETENTION_TIME 799.743 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00di-1900000000-117a1a7207245f5377e7
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  85 4 4
  86 224 224
  87 23 23
  88 9 9
  89 3 3
  90 1 1
  91 7 7
  95 1 1
  97 1 1
  99 3 3
  100 96 96
  101 16 16
  102 30 30
  103 11 11
  104 14 14
  105 8 8
  106 1 1
  107 1 1
  109 1 1
  113 2 2
  114 2 2
  115 7 7
  116 9 9
  117 18 18
  118 4 4
  119 12 12
  120 1 1
  121 1 1
  128 1 1
  129 2 2
  130 29 29
  131 25 25
  132 6 6
  133 16 16
  134 2 2
  135 3 3
  136 1 1
  137 1 1
  143 1 1
  144 6 6
  145 4 4
  146 8 8
  147 22 22
  148 4 4
  149 13 13
  150 2 2
  151 2 2
  158 8 8
  159 3 3
  160 2 2
  161 3 3
  162 2 2
  163 3 3
  164 1 1
  165 1 1
  172 9 9
  173 3 3
  174 999 999
  175 174 174
  176 77 77
  177 14 14
  178 3 3
  179 61 61
  180 10 10
  181 4 4
  189 1 1
  190 1 1
  191 1 1
  192 2 2
  193 9 9
  194 2 2
  195 2 2
  205 1 1
  207 2 2
  209 4 4
  210 1 1
  218 1 1
  219 1 1
  220 2 2
  221 2 2
  222 1 1
  223 2 2
  233 1 1
  234 1 1
  235 1 1
  237 11 11
  238 3 3
  239 1 1
  248 5 5
  249 2 2
  250 6 6
  251 3 3
  252 2 2
  264 6 6
  265 6 6
  266 2 2
  267 9 9
  268 4 4
  269 1 1
  280 1 1
  338 7 7
  339 2 2
  340 1 1
  352 3 3
  353 1 1
  425 2 2
  426 12 12
  427 7 7
  428 3 3
  429 1 1
//