MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003015

2-TERT-BUTYLMERCAPTO-3-PICOLINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003015
RECORD_TITLE: 2-TERT-BUTYLMERCAPTO-3-PICOLINE; 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$NAME: 2-TERT-BUTYLMERCAPTO-3-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)c(ncc1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-6-5-7-11-9(8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY CPVCTMVHEUAOFT-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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PK$SPLASH: splash10-004i-4900000000-a0346f0ce5b50a0b36b5
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 7 70
  39 11 110
  41 10 100
  57 1 10
  65 7 70
  78 5 50
  79 8 80
  80 0.05 1
  81 12 120
  92 6 60
  124 13 130
  125 99.99 999
  126 11 110
  127 5 50
  181 6 60
  182 1 10
//