MassBank Record: WA002856



 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002856
RECORD_TITLE: 4-Methylthioamphetamine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (2007.08.01, 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
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 //