ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000422
RECORD_TITLE: 1-ETHYL-3-METHYL-5,5-PENTAMETHYLENE-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$NAME: 1-ETHYL-3-METHYL-5,5-PENTAMETHYLENE-3,4-DIHYDROFORMAZAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀N₄
CH$EXACT_MASS: 184.16880
CH$SMILES: CCN=NC(C)NN(C1)CCCC1
CH$IUPAC: InChI=1S/C9H20N4/c1-3-10-11-9(2)12-13-7-5-4-6-8-13/h9,12H,3-8H2,1-2H3/b11-10+
CH$LINK: INCHIKEY MHEVJASIEPDIBM-ZHACJKMWSA-N
CH$LINK: COMPTOX DTXSID60342377

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$SPLASH: splash10-005c-9300000000-5a725332f096085969d2
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  29 36.5 365
  30 28.5 285
  39 8.7 87
  40 0.31 3
  41 27.1 271
  42 86.5 865
  43 10 100
  44 2.15 22
  46 3.4 34
  53 2.4 24
  54 4.9 49
  55 5.14 51
  56 30 300
  57 7.1 71
  58 6 60
  67 0.33 3
  68 2 20
  69 12.8 128
  70 10 100
  71 0.6 6
  82 9.3 93
  83 7.9 79
  84 83.5 835
  85 1.64 16
  98 2.4 24
  99 6.4 64
  111 5.1 51
  125 2.72 27
  126 17.9 179
  127 99.99 999
  128 7.9 79
//