ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002010
RECORD_TITLE: 1-ALLYL-3,5-DIMETHYLPYRAZOLE; 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$NAME: 1-ALLYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂
CH$EXACT_MASS: 136.10005
CH$SMILES: C=CCn(n1)c(C)c([H])c(C)1
CH$IUPAC: InChI=1S/C8H12N2/c1-4-5-10-8(3)6-7(2)9-10/h4,6H,1,5H2,2-3H3
CH$LINK: INCHIKEY NXAGTQRRYZTDKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70158320

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$SPLASH: splash10-000i-9500000000-2fa7d8cfb9bccb0ee91c
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  26 3.5 35
  27 15.9 159
  28 15.9 159
  38 0.38 4
  39 49.4 494
  40 13 130
  41 40.8 408
  42 3.21 32
  51 3.6 36
  52 5.8 58
  53 8.6 86
  54 1.3 13
  55 8.4 84
  65 8.2 82
  66 8.2 82
  67 0.82 8
  68 13 130
  69 2.3 23
  79 3 30
  80 0.87 9
  81 5.3 53
  82 6.5 65
  83 1.4 14
  91 0.12 1
  92 2.1 21
  93 4.2 42
  94 11.9 119
  95 2.19 22
  96 8.4 84
  107 3 30
  108 17.4 174
  109 5.68 57
  110 4.8 48
  120 1.1 11
  121 13 130
  122 0.1 1
  133 1.4 14
  134 3 30
  135 99.99 999
  136 6.3 63
  137 6.1 61
//