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) \n

ACCESSION: JP003639
RECORD_TITLE: 1,2,3,5-CYCLOHEXANETETROL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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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