MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007842

2,3,5-TRIMETHYLPYRIDINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007842
RECORD_TITLE: 2,3,5-TRIMETHYLPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 2,3,5-TRIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(C)c(C)n1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
CH$LINK: CAS 695-98-7
CH$LINK: INCHIKEY GFYHSKONPJXCDE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80219734

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00fr-8900000000-98f8ac7616418953bcb9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 19.93 199
  28 13.72 137
  39 29.94 299
  41 8.42 84
  42 2.11 21
  51 15.22 152
  52 2.98 30
  53 11.82 118
  63 5.72 57
  65 6.22 62
  77 17.23 172
  78 4.16 42
  79 29.04 290
  91 5.31 53
  93 6.32 63
  104 1.41 14
  105 5.36 54
  106 26.43 264
  120 47.15 472
  121 99.99 999
  122 9.11 91
//