MassBank Record: JP003028



 1-ACETYL-4-TERT-BUTYL-2,3,6-TRI-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: JP003028
RECORD_TITLE: 1-ACETYL-4-TERT-BUTYL-2,3,6-TRI-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$NAME: 1-ACETYL-4-TERT-BUTYL-2,3,6-TRI-TERT-BUTYLMERCAPTO-1,2,3,6-TETRAHYDROPYRIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H43NOS3 CH$EXACT_MASS: 445.25068 CH$SMILES: CC(C)(C)SC(C([H])=1)N(C(C)=O)C(SC(C)(C)C)C(SC(C)(C)C)C(C(C)(C)C)1 CH$IUPAC: InChI=1S/C23H43NOS3/c1-15(25)24-17(26-21(5,6)7)14-16(20(2,3)4)18(27-22(8,9)10)19(24)28-23(11,12)13/h14,17-19H,1-13H3
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-9100000000-96553e831bbd030009da PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 29 31 310 32 15 150 39 26 260 40 0.5 5 41 67 670 42 6 60 43 18 180 50 0.05 1 51 9 90 55 11 110 56 12 120 57 99.99 999 58 5 50 59 5 50 65 6 60 75 0.05 1 90 9 90 92 16 160 94 5 50 120 0.42 4 121 7 70 135 16 160 136 10 100 168 0.06 1 178 4 40 185 1 10 210 4 40 244 0.01 0 356 11 110 //