ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010554
RECORD_TITLE: METHYLENECYCLOHEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: METHYLENECYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂
CH$EXACT_MASS: 96.09390
CH$SMILES: C=C(C1)CCCC1
CH$IUPAC: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
CH$LINK: CAS 1192-37-6
CH$LINK: INCHIKEY YULMNMJFAZWLLN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061595

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0159-9000000000-eb9a896d633009d80487
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 3.2 32
  18 1.5 15
  26 4 40
  27 28.6 286
  28 9.7 97
  29 11.2 112
  38 5.2 52
  39 52 520
  40 12.7 127
  41 32.5 325
  42 6.5 65
  50 5.1 51
  51 9.9 99
  52 5 50
  53 25.9 259
  54 37.4 374
  55 35.6 356
  56 3 30
  62 1.7 17
  63 3.5 35
  65 7.6 76
  66 7.4 74
  67 74.4 744
  68 52.4 524
  69 3.8 38
  77 6.5 65
  78 2 20
  79 12.1 121
  80 2.2 22
  81 99.99 999
  82 7.5 75
  83 1.5 15
  91 3.1 31
  95 7.4 74
  96 44.9 449
  97 3.7 37
//