ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000861
RECORD_TITLE: ISOCROTYLHYDRAZONE ACETALDEHYDE; 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$NAME: ISOCROTYLHYDRAZONE ACETALDEHYDE
CH$NAME: ACETALDEHYDE (1-METHYL-2-PROPENYL)HYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂
CH$EXACT_MASS: 112.10005
CH$SMILES: CC=NNC(C)C=C
CH$IUPAC: InChI=1S/C6H12N2/c1-4-6(3)8-7-5-2/h4-6,8H,1H2,2-3H3/b7-5+
CH$LINK: INCHIKEY GDILWUJKAMSFQD-FNORWQNLSA-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$SPLASH: splash10-057m-9000000000-e330b001312955fbf0df
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 0.9 9
  27 35.3 353
  28 64.9 649
  29 3.83 38
  30 24.7 247
  31 2.6 26
  38 1.6 16
  39 1.79 18
  40 4.7 47
  41 22.3 223
  42 38.3 383
  43 1.7 17
  44 29.5 295
  48.5 1.5 15
  50 1.3 13
  51 0.25 3
  52 2.1 21
  53 9.1 91
  54 11.2 112
  55 7.66 77
  56 41.2 412
  57 44.1 441
  58 24.4 244
  59 0.15 2
  68 4.4 44
  69 5.3 53
  70 8.5 85
  71 0.34 3
  80 1.5 15
  82 2.6 26
  83 41.2 412
  84 0.35 4
  85 24.1 241
  86 1.6 16
  97 99.99 999
  98 0.74 7
  111 2.6 26
  112 38.2 382
  113 5.9 59
//