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MassBank Record: JP003639

1,2,3,5-CYCLOHEXANETETROL; EI-B; MS

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

ACCESSION: JP003639
RECORD_TITLE: 1,2,3,5-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$NAME: 1,2,3,5-CYCLOHEXANETETROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O4
CH$EXACT_MASS: 148.07356
CH$SMILES: OC(C1)CC(O)C(O)C(O)1
CH$IUPAC: InChI=1S/C6H12O4/c7-3-1-4(8)6(10)5(9)2-3/h3-10H,1-2H2
CH$LINK: INCHIKEY SNGBOMOBDFAYFR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90338304

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$SPLASH: splash10-08mi-9000000000-53a34d6a60bff6a8eb55
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43 35.6 356
  45 44 440
  56 77 770
  57 6.78 68
  60 99.99 999
  73 59 590
  86 45.3 453
  112 5.58 56
  148 3 30
//

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