ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003642
RECORD_TITLE: CIS-1,4-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$NAME: CIS-1,4-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: [H]C(O)(C1)CCC([H])(O)C1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6+
CH$LINK: INCHIKEY VKONPUDBRVKQLM-OLQVQODUSA-N
CH$LINK: COMPTOX DTXSID60883614

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$SPLASH: splash10-0pb9-9000000000-d3cb84ce36355dab8d57
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41 43.3 433
  54 92.5 925
  55 39.5 395
  57 4.5 45
  58 99.99 999
  59 33.4 334
  69 33.2 332
  98 6.15 62
  116 2.8 28
//