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MassBank Record: WA002858

4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002858
RECORD_TITLE: 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-014i-0900000000-5e08627afc2f94a9ed0d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  105 16 16
  107 20 20
  109 8 8
  115 106 106
  117 999 999
  118 165 165
  119 12 12
  122 8 8
  123 16 16
  124 24 24
  125 12 12
  133 8 8
  135 47 47
  137 674 674
  138 51 51
  139 27 27
  149 8 8
  150 106 106
  151 8 8
  153 12 12
  155 8 8
  158 16 16
  165 545 545
  166 47 47
  167 27 27
  181 31 31
  182 31 31
//

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