MassBank Record: MSBNK-Waters-WA002856
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
//
system version 2.2.6-SNAPSHOT