ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000469
RECORD_TITLE: 1,3,5-TRIMETHYLPYRAZOLE; 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

CH$NAME: 1,3,5-TRIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀N₂
CH$EXACT_MASS: 110.08440
CH$SMILES: [H]c(c(C)1)c(C)n(C)n1
CH$IUPAC: InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
CH$LINK: INCHIKEY HNOQAFMOBRWDKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70147951

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08fr-8900000000-529cf812ec193015d799
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 1.9 19
  27 6.7 67
  28 9.2 92
  29 0.22 2
  30 1.6 16
  31 1.8 18
  38 2.7 27
  39 1.94 19
  40 6.1 61
  41 16.4 164
  42 17.4 174
  43 0.76 8
  50 1 10
  51 2.4 24
  52 3.2 32
  53 0.34 3
  54 6.9 69
  55 5.4 54
  56 13.1 131
  57 0.24 2
  63 2 20
  64 1 10
  65 6.7 67
  66 0.45 5
  67 6.8 68
  68 13 130
  69 4 40
  70 0.14 1
  71 1.1 11
  79 1.8 18
  80 2.9 29
  81 0.24 2
  82 10 100
  83 2 20
  93 1.3 13
  94 0.11 1
  95 28.3 283
  96 2.5 25
  97 1 10
  108 0.17 2
  109 77.1 771
  110 99.99 999
  111 7.5 75
  112 0.3 3
//