ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006782
RECORD_TITLE: CYCLOHEPTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEPTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: OC(C1)CCCCC1
CH$IUPAC: InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
CH$LINK: INCHIKEY QCRFMSUKWRQZEM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5074713

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-f5265d6a96f43121a36b
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  27 17.01 170
  28 4.9 49
  29 21.39 214
  31 7.73 77
  39 16.04 160
  40 3.54 35
  41 33.38 334
  42 18.62 186
  43 15.46 155
  44 25.19 252
  45 5.54 55
  53 4.64 46
  54 13.85 139
  55 24.61 246
  56 3.93 39
  57 99.99 999
  58 8.7 87
  66 2.64 26
  67 19.27 193
  68 33.83 338
  69 3.74 37
  70 12.44 124
  71 14.18 142
  72 5.48 55
  81 36.47 365
  82 2.77 28
  83 2.45 25
  85 5.09 51
  86 3.35 34
  95 2.71 27
  96 15.72 157
  97 2.51 25
  113 1.03 10
  114 1.22 12
//