ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002019
RECORD_TITLE: 4-ALLYL-1,3,5-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$NAME: 4-ALLYL-1,3,5-TRIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14N2
CH$EXACT_MASS: 150.11570
CH$SMILES: C=CCc(c(C)1)c(C)n(C)n1
CH$IUPAC: InChI=1S/C9H14N2/c1-5-6-9-7(2)10-11(4)8(9)3/h5H,1,6H2,2-4H3
CH$LINK: INCHIKEY YLBGZANVFWEKRE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:579724
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$SPLASH: splash10-0kmr-7900000000-7d30fc99e08377407369
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 12.8 128
  28 10.8 108
  29 0.38 4
  30 2.4 24
  38 1.9 19
  39 17.9 179
  40 0.46 5
  41 11.7 117
  42 19.9 199
  43 3.8 38
  50 0.28 3
  51 7.1 71
  52 5.3 53
  54 4 40
  55 0.5 5
  56 50.3 503
  57 2 20
  62 1.8 18
  63 0.3 3
  64 1.5 15
  65 6.3 63
  66 7.5 75
  67 0.61 6
  68 2.1 21
  73 1.6 16
  74 2.3 23
  77 0.61 6
  78 2.3 23
  79 5 50
  80 3.7 37
  81 0.36 4
  82 4.4 44
  91 4.6 46
  92 3.2 32
  93 0.32 3
  94 11.8 118
  95 2.5 25
  105 1 10
  106 0.24 2
  107 3.4 34
  108 9.5 95
  109 6.6 66
  110 0.18 2
  118 1.3 13
  119 3 30
  120 3.2 32
  121 0.18 2
  122 2.5 25
  123 99.99 999
  124 8.7 87
  132 0.14 1
  133 3.4 34
  134 2 20
  135 36 360
  136 0.34 3
  137 2.7 27
  138 1.1 11
  148 1.1 11
  149 2.85 29
  150 77.9 779
  151 8.4 84
//
