MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003027

2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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

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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
CH$LINK: INCHIKEY ZIBQZACYDHZNNM-UHFFFAOYSA-N

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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//