MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003018

2-TERT-BUTYLMERCAPTO-3,5-LUTIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003018
RECORD_TITLE: 2-TERT-BUTYLMERCAPTO-3,5-LUTIDINE; 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$NAME: 2-TERT-BUTYLMERCAPTO-3,5-LUTIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NS
CH$EXACT_MASS: 195.10817
CH$SMILES: Cc(c1)cc(C)c(n1)SC(C)(C)C
CH$IUPAC: InChI=1S/C11H17NS/c1-8-6-9(2)10(12-7-8)13-11(3,4)5/h6-7H,1-5H3
CH$LINK: INCHIKEY OOGFLLOHRHJKAE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90307636

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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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PK$SPLASH: splash10-000i-2900000000-4595654b9f38de206608
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 9 90
  39 11 110
  41 13 130
  57 1 10
  77 8 80
  103 9 90
  104 7 70
  105 0.17 2
  124 1 10
  138 14 140
  139 99.99 999
  140 0.12 1
  141 5 50
  180 1 10
  195 9 90
  196 1.1 11
//