ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000871
RECORD_TITLE: DIMETHYLHYDRAZONE TIGLYLALDEHYDE; 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$NAME: DIMETHYLHYDRAZONE TIGLYLALDEHYDE
CH$NAME: 2-METHYL-2-BUTENAL DIMETHYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CC=C(C)C=NN(C)C
CH$IUPAC: InChI=1S/C7H14N2/c1-5-7(2)6-8-9(3)4/h5-6H,1-4H3/b7-5-,8-6+
CH$LINK: INCHIKEY OQGHKNMZJCKZBC-CGXWXWIYSA-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$SPLASH: splash10-002f-9100000000-ba0e6e30518b3ff9ee91
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  28 32.5 325
  29 27 270
  30 2.98 30
  31 1.1 11
  37 1.1 11
  38 0.3 3
  39 2.7 27
  40 6.5 65
  41 29.8 298
  42 76 760
  43 5.15 52
  44 99.99 999
  45 30 300
  46 17.6 176
  49 0.1 1
  50 2.4 24
  51 3.5 35
  52 3.8 38
  53 2.22 22
  54 11.6 116
  55 40.6 406
  56 21.4 214
  57 0.57 6
  58 11.1 111
  59 8.1 81
  63 6.2 62
  65 0.46 5
  66 2.2 22
  67 27 270
  68 9 90
  69 0.32 3
  70 21.4 214
  71 5.4 54
  72 4.6 46
  80 0.13 1
  81 25.7 257
  82 93 930
  83 22.7 227
  84 1.08 11
  85 1.1 11
  94 4.6 46
  95 6.8 68
  96 1.02 10
  97 4.6 46
  98 3.5 35
  108 0.7 7
  109 0.32 3
  110 24.3 243
  111 46 460
  112 3.8 38
  125 0.3 3
  126 67.6 676
  127 6.6 66
//