ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000476
RECORD_TITLE: 3,4,4,5-TETRAMETHYL-4H-PYRAZOLE; 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$NAME: 3,4,4,5-TETRAMETHYL-4H-PYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂N₂
CH$EXACT_MASS: 124.10005
CH$SMILES: CC(=N1)C(C)(C)C(C)=N1
CH$IUPAC: InChI=1S/C7H12N2/c1-5-7(3,4)6(2)9-8-5/h1-4H3
CH$LINK: INCHIKEY AIHABYFCZQBWLH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60172575

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$SPLASH: splash10-000x-9100000000-9bef0202e58fde4c4e30
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  28 10.1 101
  29 3.5 35
  30 0.19 2
  38 1.9 19
  39 20.2 202
  40 8.9 89
  41 3.43 34
  42 99.99 999
  43 5.6 56
  50 1.2 12
  51 0.29 3
  52 2.9 29
  53 6.4 64
  54 3.5 35
  55 0.37 4
  56 1.7 17
  57 1.5 15
  65 1.9 19
  66 0.22 2
  67 2.4 24
  68 21.1 211
  69 2.6 26
  70 0.12 1
  77 1.6 16
  79 3.5 35
  80 0.8 8
  81 1.21 12
  82 33 330
  83 38.3 383
  84 2.5 25
  95 0.68 7
  96 2.6 26
  97 0.7 7
  109 15.9 159
  110 1.31 13
  111 1.3 13
  123 1.1 11
  124 28.7 287
  125 2.5 25
//