MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002997
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002997
RECORD_TITLE: TERT-BUTYL 4-PICOLYL SULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TERT-BUTYL 4-PICOLYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: CC(C)(C)SCc(c1)ccnc1
CH$IUPAC: InChI=1S/C10H15NS/c1-10(2,3)12-8-9-4-6-11-7-5-9/h4-7H,8H2,1-3H3
CH$LINK: INCHIKEY
JNZPQVNBWRBPEQ-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-056r-9200000000-659270749f760bd34d60
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
29 26 260
39 30 300
41 34 340
45 1 10
50 40 400
51 13 130
52 5 50
53 0.07 1
57 99.99 999
58 5 50
59 6 60
63 0.04 0
65 12 120
78 7 70
79 15 150
80 0.1 1
92 20 200
93 5 50
106 4 40
124 0.1 1
125 83 830
126 11 110
127 4 40
181 0.24 2
182 3 30
//