ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003638
RECORD_TITLE: 1,2,4,5-CYCLOHEXANETETROL; 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$NAME: 1,2,4,5-CYCLOHEXANETETROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₄
CH$EXACT_MASS: 148.07356
CH$SMILES: OC(C1)C(O)CC(O)C(O)1
CH$IUPAC: InChI=1S/C6H12O4/c7-3-1-4(8)6(10)2-5(3)9/h3-10H,1-2H2
CH$LINK: INCHIKEY RDIDGZFQASQXBU-UHFFFAOYSA-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$SPLASH: splash10-0a4i-9000000000-e88189c8e4f6246adec3
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  55 46.1 461
  57 99.99 999
  60 72.6 726
  73 9.97 100
  74 62 620
  75 61 610
  86 46 460
  130 4 40
  148 2.5 25
//