ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000872
RECORD_TITLE: DIMETHYLHYDRAZONE BETA.BETA-DIMETHYLACRYLALDEHYDE; 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$NAME: DIMETHYLHYDRAZONE BETA.BETA-DIMETHYLACRYLALDEHYDE
CH$NAME: 3-METHYL-2-BUTENAL DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CC(C)=CC=NN(C)C
CH$IUPAC: InChI=1S/C7H14N2/c1-7(2)5-6-8-9(3)4/h5-6H,1-4H3/b8-6+
CH$LINK: INCHIKEY KZFYEQGUCXROPI-SOFGYWHQSA-N

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$SPLASH: splash10-0036-9100000000-3b0ee1965f90cb8e9eef
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 9 90
  27 24.5 245
  28 67.8 678
  29 2.2 22
  30 23.7 237
  38 3.6 36
  39 30.5 305
  40 0.68 7
  41 35.6 356
  42 74.6 746
  43 63.6 636
  44 8.3 83
  45 23.7 237
  46 16.9 169
  51 5.2 52
  52 0.32 3
  53 20.3 203
  54 6.3 63
  55 39 390
  56 1.86 19
  57 5.4 54
  58 27.1 271
  59 15.2 152
  63 0.68 7
  65 4.4 44
  66 3 30
  67 30.5 305
  68 2.2 22
  69 3.9 39
  70 12.7 127
  71 6.4 64
  80 2.37 24
  81 22 220
  82 57.6 576
  83 54.2 542
  84 5.68 57
  85 3.7 37
  94 7.4 74
  95 6.9 69
  96 2.54 25
  97 5.4 54
  98 6.4 64
  108 3.6 36
  109 0.34 3
  110 2.7 27
  111 20.3 203
  112 1 10
  125 0.27 3
  126 99.99 999
  127 8.5 85
//