ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003645
RECORD_TITLE: 1,3-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$NAME: 1,3-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: OC(C1)CC(O)CC1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
CH$LINK: INCHIKEY RLMGYIOTPQVQJR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60964654

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$SPLASH: splash10-0006-9000000000-e97b524ad1f016ac0484
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42 51 510
  43 41 410
  44 99.99 999
  54 6.89 69
  70 44 440
  73 50.9 509
  80 51.2 512
  98 6.23 62
  116 3 30
//