ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000362
RECORD_TITLE: 1-METHYL-1,2-EPOXYCYCLOHEXANE; 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$NAME: 1-METHYL-1,2-EPOXYCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O
CH$EXACT_MASS: 112.08882
CH$SMILES: CC(C2)(O1)C(CCC2)1
CH$IUPAC: InChI=1S/C7H12O/c1-7-5-3-2-4-6(7)8-7/h6H,2-5H2,1H3
CH$LINK: INCHIKEY FIEKVYPYFQSFTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20873233

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0007-9000000000-d645f91fc5e55758f354
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 3 30
  18 2 20
  26 1.5 15
  27 2.15 22
  28 10.5 105
  29 14 140
  30 0.5 5
  31 0.07 1
  32 1 10
  38 1.5 15
  39 32 320
  40 0.8 8
  41 59 590
  42 21.5 215
  43 80 800
  44 1.8 18
  45 3 30
  47 1 10
  50 1.5 15
  51 0.3 3
  52 1.5 15
  53 14 140
  54 9 90
  55 5.7 57
  56 14 140
  57 19 190
  58 26 260
  59 0.3 3
  65 2 20
  66 4 40
  67 26 260
  68 2.3 23
  69 37 370
  70 8 80
  71 34 340
  72 0.4 4
  77 2.5 25
  79 5 50
  81 4 40
  82 0.2 2
  83 19.5 195
  84 17 170
  85 4.5 45
  86 0.05 1
  87 0.5 5
  91 1 10
  94 0.5 5
  95 0.05 1
  96 0.5 5
  97 99.99 999
  98 8 80
  99 0.05 1
  111 8 80
  112 22 220
  113 1.5 15
//