ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003644
RECORD_TITLE: CIS-1,2-CYCLOHEXANEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CIS-1,2-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: [H]C(O)(C1)C([H])(O)CCC1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
CH$LINK: INCHIKEY PFURGBBHAOXLIO-OLQVQODUSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05tf-9000000000-e53c131db957fcca9207
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41 62.1 621
  42 59.8 598
  55 63 630
  57 8.89 89
  69 44.3 443
  70 99.99 999
  83 38.2 382
  98 5.39 54
  116 17.1 171
//