MassBank Record: MSBNK-Waters-WA002857
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
//