ACCESSION: MSBNK-Waters-WA002856
RECORD_TITLE: 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-014i-0900000000-33d26834a90037dccca6
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  102 8 8
  103 78 78
  104 35 35
  105 35 35
  107 43 43
  109 47 47
  110 8 8
  115 552 552
  116 8 8
  117 999 999
  118 98 98
  119 8 8
  121 168 168
  122 474 474
  123 39 39
  124 47 47
  125 8 8
  132 12 12
  134 27 27
  135 286 286
  137 309 309
  138 27 27
  139 16 16
  149 16 16
  150 59 59
  165 24 24
  182 12 12
//