MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003013

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003013
RECORD_TITLE: 5-TERT-BUTYLMERCAPTO-2-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$NAME: 5-TERT-BUTYLMERCAPTO-2-PICOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅NS
CH$EXACT_MASS: 181.09252
CH$SMILES: Cc(c1)ncc(c1)SC(C)(C)C
CH$IUPAC: InChI=1S/C10H15NS/c1-8-5-6-9(7-11-8)12-10(2,3)4/h5-7H,1-4H3
CH$LINK: INCHIKEY JKXJDOBWRNBBMA-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$SPLASH: splash10-004i-6900000000-c446d98650d7b30185e9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 12 120
  32 9 90
  39 10 100
  41 2.3 23
  53 10 100
  57 43 430
  81 9 90
  84 0.07 1
  97 5 50
  124 10 100
  125 99.99 999
  126 0.11 1
  127 5 50
  166 3 30
  181 14 140
  182 1.7 17
//