ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000474
RECORD_TITLE: 3,4-TETRAMETHYLENEPYRAZOLE; 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$NAME: 3,4-TETRAMETHYLENEPYRAZOLE
CH$NAME: 4,5,6,7-TETRAHYDROBENZO(C)PYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀N₂
CH$EXACT_MASS: 122.08440
CH$SMILES: C1CCC2=C(C1)C=NN2
CH$IUPAC: InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
CH$LINK: INCHIKEY GDSQTWDUCDSZEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50177615

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$SPLASH: splash10-006x-9300000000-4f7a2a5d21340febe39d
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 5.8 58
  28 9.4 94
  29 0.11 1
  38 1.6 16
  39 12.2 122
  40 4.1 41
  41 0.96 10
  42 4.8 48
  43 1.8 18
  50 1.1 11
  51 0.27 3
  52 5.8 58
  53 4.5 45
  54 4.9 49
  55 0.26 3
  57 1.1 11
  60 2.5 25
  63 1.6 16
  64 0.11 1
  65 4.6 46
  66 2.8 28
  67 9.2 92
  68 0.29 3
  69 1.9 19
  77 2.7 27
  78 1.1 11
  79 0.11 1
  80 2.9 29
  81 5.7 57
  82 1.4 14
  83 0.1 1
  91 1.6 16
  92 2.1 21
  93 6.6 66
  94 99.99 999
  95 15.5 155
  96 1.2 12
  107 1.4 14
  108 0.04 0
  109 1.6 16
  110 1.4 14
  118 0.4 4
  119 0.21 2
  120 0.7 7
  121 17 170
  122 51.4 514
  123 0.45 5
  124 0.3 3
//