ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000475
RECORD_TITLE: 1,5-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$NAME: 1,5-TETRAMETHYLENEPYRAZOLE
CH$NAME: 4,5,6,7-TETRAHYDROPYRAZOLO(2,3-A)PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀N₂
CH$EXACT_MASS: 122.08440
CH$SMILES: [H]c(n1)c([H])c(C2)n(CCC2)1
CH$IUPAC: InChI=1S/C7H10N2/c1-2-6-9-7(3-1)4-5-8-9/h4-5H,1-3,6H2
CH$LINK: INCHIKEY IDHRHHLXBFGLSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80549422

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$SPLASH: splash10-01bc-9600000000-6922b806f5592bd4a833
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  26 4.4 44
  27 15.1 151
  38 6.4 64
  39 2.67 27
  40 6.9 69
  41 20.8 208
  42 6.7 67
  43 3.53 35
  45 5.5 55
  50 9.2 92
  51 9.2 92
  52 0.73 7
  53 6.7 67
  54 5.2 52
  55 5.2 52
  56 0.38 4
  57 3.8 38
  58 4.2 42
  59 27.2 272
  62 0.36 4
  63 10.3 103
  64 10.1 101
  65 20.6 206
  66 0.99 10
  67 9.7 97
  68 3.4 34
  77 3.8 38
  78 1.03 10
  79 4.9 49
  80 4.4 44
  81 6.1 61
  82 0.65 7
  91 10.7 107
  92 34.5 345
  93 13.9 139
  94 1.23 12
  95 6.7 67
  96 3.4 34
  104 3.4 34
  105 0.44 4
  106 3.2 32
  107 3 30
  118 17.6 176
  119 99.99 999
  120 60.6 606
  121 1.8 18
  122 20 200
  123 1.8 18
//