MassBank Record: JP003025



 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDRO-PYRIDINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003025
RECORD_TITLE: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDRO-PYRIDINE; 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$NAME: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDRO-PYRIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H29NO3S2 CH$EXACT_MASS: 359.15889 CH$SMILES: CC(=O)OC(C1SC(C)(C)C)N(C(C)=O)C(C=C1)SC(C)(C)C CH$IUPAC: InChI=1S/C17H29NO3S2/c1-11(19)18-14(23-17(6,7)8)10-9-13(22-16(3,4)5)15(18)21-12(2)20/h9-10,13-15H,1-8H3
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: splash10-052f-9200000000-518a2c4e44732356229e PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 39 34 340 40 50 500 41 62 620 42 0.6 6 43 49 490 45 13 130 49 4 40 50 0.09 1 51 10 100 52 14 140 53 7 70 55 0.1 1 56 13 130 57 99.99 999 58 5 50 59 0.07 1 60 8 80 67 7 70 75 8 80 78 0.07 1 79 21 210 80 24 240 83 5 50 84 0.04 0 90 10 100 96 11 110 110 5 50 111 0.62 6 112 38 380 113 6 60 122 4 40 132 0.14 1 135 9 90 138 9 90 154 9 90 167 0.16 2 168 29 290 169 6 60 180 4 40 210 0.14 1 270 14 140 359 3 30 //