MassBank Record: MSBNK-Waters-WA002875

3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 15 V

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ACCESSION: MSBNK-Waters-WA002875
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: 3,4,5-Trimethoxyamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉NO₃
CH$EXACT_MASS: 225.13649
CH$SMILES: CC(N)Cc(c1)cc(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3
CH$LINK: CAS 1082-88-8
CH$LINK: INCHIKEY WGTASENVNYJZBK-UHFFFAOYSA-N

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AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.700 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V

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MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-004i-0090000000-c2c4e503446badf44b76
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  209 223 223
  210 20 20
  226 999 999
  227 74 74
  228 12 12
  267 27 27
  451 110 110
  452 16 16
//