MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003641

1,3,5-CYCLOHEXANETRIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003641
RECORD_TITLE: 1,3,5-CYCLOHEXANETRIOL; 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

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CH$NAME: 1,3,5-CYCLOHEXANETRIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₃
CH$EXACT_MASS: 132.07864
CH$SMILES: OC(C1)CC(O)CC(O)1
CH$IUPAC: InChI=1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2
CH$LINK: INCHIKEY FSDSKERRNURGGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00942577

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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-006x-9000000000-f96d861da567ba3811be
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42 42 420
  43 61.3 613
  44 84 840
  45 9.96 100
  70 56.8 568
  73 99.99 999
  96 33 330
  114 4.48 45
  132 4.8 48
//