MassBank Record: JP003027



 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-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: JP003027
RECORD_TITLE: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-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$NAME: 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H31NO3S2 CH$EXACT_MASS: 373.17454 CH$SMILES: CC(=O)OC(C(SC(C)(C)C)1)N(C(C)=O)C(SC(C)(C)C)C=C(C)1 CH$IUPAC: InChI=1S/C18H31NO3S2/c1-11-10-14(23-17(4,5)6)19(12(2)20)16(22-13(3)21)15(11)24-18(7,8)9/h10,14-16H,1-9H3
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: splash10-0a4l-9300000000-cf9804612d4b3a91cc67 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 32 12 120 39 25 250 41 58 580 43 4.8 48 45 13 130 53 9 90 55 8 80 56 0.14 1 57 99.99 999 60 8 80 65 7 70 66 0.09 1 75 9 90 90 11 110 92 10 100 93 0.35 4 94 17 170 110 22 220 124 5 50 125 0.56 6 126 18 180 132 11 110 152 17 170 168 0.03 0 181 9 90 182 12 120 194 7 70 224 0.06 1 284 10 100 373 1 10 //