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MassBank Record: WA002859

4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002859
RECORD_TITLE: 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 4-Methylthioamphetamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: CC(N)Cc(c1)ccc(SC)c1
CH$IUPAC: InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
CH$LINK: CAS 14116-06-4
CH$LINK: INCHIKEY OLEWMKVPSUCNLG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90894854

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 11.900 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 30 V

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

PK$SPLASH: splash10-014i-0900000000-fab3452a6bb3423d00aa
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  117 118 118
  118 12 12
  137 78 78
  138 8 8
  158 8 8
  165 999 999
  166 78 78
  167 47 47
  181 27 27
  182 133 133
  183 16 16
  184 8 8
//

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