ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000419
RECORD_TITLE: 1-ETHYL-5,5-DIMETHYL-3-PROPYL-3,4-DIHYDROFORMAZAN; 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$NAME: 1-ETHYL-5,5-DIMETHYL-3-PROPYL-3,4-DIHYDROFORMAZAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H20N4
CH$EXACT_MASS: 172.16880
CH$SMILES: CCN=NC(CCC)NN(C)C
CH$IUPAC: InChI=1S/C8H20N4/c1-5-7-8(10-9-6-2)11-12(3)4/h8,11H,5-7H2,1-4H3/b10-9+
CH$LINK: INCHIKEY QBKJPAWZEPDHGU-MDZDMXLPSA-N
CH$LINK: COMPTOX DTXSID60337329
AC$INSTRUMENT: SHIMADZU LKB-2091
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9200000000-59236589128dc65ddf21
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 19.6 196
  28 34.9 349
  29 2.2 22
  30 3.92 39
  31 1.8 18
  39 3.9 39
  41 12.2 122
  42 2.7 27
  43 34 340
  44 99.99 999
  45 17 170
  46 3.31 33
  55 3.9 39
  56 8.7 87
  57 3.5 35
  58 1.18 12
  59 34 340
  60 2.2 22
  70 10.9 109
  71 1.26 13
  72 15.7 157
  73 7.4 74
  85 13.5 135
  86 1.22 12
  99 2.3 23
  114 7.8 78
  115 78.1 781
  116 7 70
//
