ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004325
RECORD_TITLE: 3-PENTYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE; 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$NAME: 3-PENTYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20N2
CH$EXACT_MASS: 192.16265
CH$SMILES: CCCCCC1=NNC2=C1CCCC2
CH$IUPAC: InChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h2-9H2,1H3,(H,13,14)
CH$LINK: INCHIKEY BYZRXJISBWQTJQ-UHFFFAOYSA-N
AC$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-2900000000-ed9d0cb411c43338c5be
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 4.1 41
  28 3.2 32
  29 4.3 43
  30 0.11 1
  39 4.4 44
  40 1.3 13
  41 10.3 103
  42 0.31 3
  43 2.9 29
  51 1.3 13
  52 1.9 19
  53 0.44 4
  54 3.3 33
  55 3.3 33
  65 2.9 29
  66 0.21 2
  67 5.9 59
  68 1.9 19
  69 1.6 16
  77 0.44 4
  78 1.7 17
  79 3.4 34
  80 3.5 35
  81 0.43 4
  91 3.2 32
  92 1.9 19
  93 2.1 21
  94 0.69 7
  95 9.3 93
  96 1.9 19
  105 1.2 12
  106 0.14 1
  107 11.6 116
  108 9.8 98
  109 2.3 23
  119 0.23 2
  120 1.7 17
  121 13.7 137
  122 4.9 49
  123 0.17 2
  124 1.3 13
  131 1 10
  132 1.3 13
  133 0.27 3
  134 3.6 36
  135 37.7 377
  136 99.99 999
  137 0.95 10
  147 1.1 11
  148 0.8 8
  149 31.6 316
  150 1.26 13
  151 1.3 13
  163 9.3 93
  164 7.8 78
  177 0.17 2
  191 3.7 37
  192 24.3 243
  193 3.5 35
  194 9.4 94
//
