MassBank Record: JP003029



 2-ACETOXY-1-ACETYL-4-TERT-BUTYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003029
RECORD_TITLE: 2-ACETOXY-1-ACETYL-4-TERT-BUTYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE; 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$NAME: 2-ACETOXY-1-ACETYL-4-TERT-BUTYL-3,6-DI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H37NO3S2 CH$EXACT_MASS: 415.22149 CH$SMILES: CC(=O)OC(N(C(C)=O)1)C(SC(C)(C)C)C(C(C)(C)C)=CC(SC(C)(C)C)1 CH$IUPAC: InChI=1S/C21H37NO3S2/c1-13(23)22-16(26-20(6,7)8)12-15(19(3,4)5)17(27-21(9,10)11)18(22)25-14(2)24/h12,16-18H,1-11H3
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: splash10-06b9-7923000000-87b55bbbaf5a7e7538fe PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 29 22 220 32 10 100 39 15 150 41 4.5 45 43 58 580 45 9 90 55 8 80 56 0.07 1 57 99.99 999 58 5 50 59 5 50 60 0.05 1 65 4 40 75 5 50 77 5 50 90 0.07 1 92 14 140 106 10 100 120 52 520 121 0.17 2 125 27 270 132 8 80 134 6 60 135 0.16 2 136 50 500 137 6 60 152 25 250 153 0.06 1 167 25 250 168 95 950 169 13 130 178 0.1 1 194 10 100 210 54 540 211 7 70 223 0.07 1 224 17 170 225 4 40 228 5 50 266 0.1 1 284 3 30 326 93 930 327 20 200 328 7 70 //