ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000470
RECORD_TITLE: 3,4,5-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$NAME: 3,4,5-TRIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀N₂
CH$EXACT_MASS: 110.08440
CH$SMILES: CC1=C(NN=C1C)C
CH$IUPAC: InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
CH$LINK: INCHIKEY HUVAAOZUPLEYBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70203687

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$SPLASH: splash10-0bta-9600000000-f3c02aad5315e65db6ed
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  26 2 20
  27 8.3 83
  28 6.4 64
  29 0.2 2
  30 3.1 31
  38 1.6 16
  39 11.9 119
  40 0.46 5
  41 17.6 176
  42 25.1 251
  43 5.9 59
  45 0.09 1
  50 1.5 15
  51 3.7 37
  52 5.8 58
  53 0.58 6
  54 17.6 176
  55 5.8 58
  56 2.4 24
  57 0.29 3
  60 1.1 11
  65 3.4 34
  66 3.5 35
  67 0.38 4
  68 25.4 254
  69 9.3 93
  70 1.5 15
  71 0.16 2
  77 2 20
  78 1 10
  79 2.6 26
  80 0.17 2
  81 4.9 49
  82 2.9 29
  83 1.9 19
  94 0.09 1
  95 53.9 539
  96 22.8 228
  97 2.3 23
  98 0.12 1
  108 2.4 24
  109 99.99 999
  110 86.6 866
  111 0.66 7
  112 0.5 5
//