ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009294
RECORD_TITLE: CYCLOHEPTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-07fdc731db6a71872712
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  26 1.5 15
  27 17.1 171
  28 0.46 5
  29 14.8 148
  30 1 10
  31 7 70
  39 1.7 17
  40 3 30
  41 33 330
  42 16.1 161
  43 1.52 15
  44 26 260
  45 5.8 58
  51 1.2 12
  53 0.61 6
  54 13.8 138
  55 23.5 235
  56 3.1 31
  57 99.99 999
  58 8.8 88
  66 1.5 15
  67 18.2 182
  68 3.6 36
  69 3.1 31
  70 12.5 125
  71 12.9 129
  72 0.59 6
  81 32.1 321
  82 1.9 19
  83 1.1 11
  85 0.51 5
  86 3.2 32
  95 1.8 18
  96 18.6 186
  97 0.17 2
  114 1.4 14
//