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MassBank Record: JP003640

1,2,3-CYCLOHEXANETRIOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003640
RECORD_TITLE: 1,2,3-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

CH$NAME: 1,2,3-CYCLOHEXANETRIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: OC(C1)C(O)C(O)CC1
CH$IUPAC: InChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2
CH$LINK: INCHIKEY IZSANPWSFUSNMY-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$SPLASH: splash10-0ab9-9000000000-f5203eaf34637cf939f7
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43 25.5 255
  57 99.5 995
  58 49.6 496
  70 99.99 999
  83 26.3 263
  86 27.2 272
  96 27.9 279
  114 6.28 63
  132 4 40
//

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