ACCESSION: MSBNK-Waters-WA002857
RECORD_TITLE: 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-014r-0900000000-f472a7a34f7964f9344e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  103 20 20
  104 16 16
  105 24 24
  107 43 43
  109 16 16
  115 286 286
  117 999 999
  118 204 204
  119 12 12
  122 165 165
  123 20 20
  124 59 59
  125 8 8
  135 204 204
  137 674 674
  138 51 51
  139 31 31
  149 20 20
  150 145 145
  151 12 12
  165 86 86
  166 12 12
  182 12 12
//