MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003643

TRANS-1,2-CYCLOHEXANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003643
RECORD_TITLE: TRANS-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

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CH$NAME: TRANS-1,2-CYCLOHEXANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: OC(C1)C(O)CCC1
CH$IUPAC: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
CH$LINK: INCHIKEY PFURGBBHAOXLIO-PHDIDXHHSA-N
CH$LINK: COMPTOX DTXSID7075347

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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$SPLASH: splash10-006x-9000000000-5602bfd3f4dfde8ac9f1
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41 60.5 605
  42 42 420
  44 36.5 365
  57 9.13 91
  69 36 360
  70 99.99 999
  83 36 360
  98 4.42 44
  116 16 160
//