MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003013
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003013
RECORD_TITLE: 5-TERT-BUTYLMERCAPTO-2-PICOLINE; 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$NAME: 5-TERT-BUTYLMERCAPTO-2-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)ncc(c1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-5-6-9(7-11-8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY
JKXJDOBWRNBBMA-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-6900000000-c446d98650d7b30185e9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
29 12 120
32 9 90
39 10 100
41 2.3 23
53 10 100
57 43 430
81 9 90
84 0.07 1
97 5 50
124 10 100
125 99.99 999
126 0.11 1
127 5 50
166 3 30
181 14 140
182 1.7 17
//