MassBank Record: JP002898



 1,4-CYCLOHEXANEDIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002898
RECORD_TITLE: 1,4-CYCLOHEXANEDIONE; 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$NAME: 1,4-CYCLOHEXANEDIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8O2 CH$EXACT_MASS: 112.05243 CH$SMILES: O=C(C1)CCC(=O)C1 CH$IUPAC: InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
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: splash10-056r-9100000000-3a398458f3520cf75539 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 14 2.76 28 15 2.23 22 26 12.4 124 27 31.45 315 28 99.99 999 29 18.92 189 39 5.86 59 41 4.52 45 42 20.52 205 43 3.55 36 53 2.97 30 54 3.03 30 55 32.86 329 56 56.2 562 57 19.32 193 69 2.03 20 70 3.5 35 83 4.81 48 84 2.41 24 112 64.88 649 113 4.55 46 //