ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005287
RECORD_TITLE: CYCLOHEXYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₁Cl
CH$EXACT_MASS: 118.05493
CH$SMILES: ClC(C1)CCCC1
CH$IUPAC: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
CH$LINK: INCHIKEY UNFUYWDGSFDHCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052193

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0gb9-9000000000-b1861e1c572fc3b165dd
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.19 12
  26 2.49 25
  27 19.73 197
  28 5.7 57
  29 7.56 76
  38 2.12 21
  39 24.24 242
  40 5.07 51
  41 50.09 501
  42 7.25 73
  43 3.68 37
  49 1.45 15
  50 2.59 26
  51 4.45 45
  52 1.97 20
  53 36.8 368
  54 44.63 446
  55 9.86 99
  62 2.75 28
  65 1.76 18
  66 1.71 17
  67 99.99 999
  68 33.05 331
  69 1.96 20
  118 4.4 44
  120 1.3 13
//