MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003012
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003012
RECORD_TITLE: 6-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$NAME: 6-TERT-BUTYLMERCAPTO-2-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)nc(cc1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-6-5-7-9(11-8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY
ZLPUWUHNQZOJNU-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004i-6900000000-810957fc3d8e8e318126
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29 8 80
39 14 140
41 11 110
57 1.2 12
65 7 70
80 8 80
81 44 440
92 0.06 1
125 99.99 999
126 12 120
127 5 50
166 0.01 0
181 7 70
182 1 10
//