MassBank Record: JP002064



 4-HYDROXY4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002064
RECORD_TITLE: 4-HYDROXY4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H8O2 CH$EXACT_MASS: 124.05243 CH$SMILES: O=C(C=1)C=CC(C)(O)C1 CH$IUPAC: InChI=1S/C7H8O2/c1-7(9)4-2-6(8)3-5-7/h2-5,9H,1H3
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4j-9400000000-31e0fc73612ad7c43b98 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 15 2 20 18 4 40 19 0.5 5 26 0.3 3 27 12.1 121 28 2 20 29 2.5 25 31 0.05 1 33 0.5 5 34 0.5 5 35 1 10 36 0.05 1 39 8.1 81 40 4 40 41 6.1 61 42 0.25 3 43 20.2 202 44 2 20 45 1 10 47 0.05 1 48 0.5 5 49 0.5 5 50 3 30 51 0.96 10 52 10.1 101 53 30.3 303 54 6.1 61 55 1.62 16 56 1 10 57 1 10 63 2 20 64 0.05 1 65 1.5 15 66 3.5 35 67 6.6 66 68 0.3 3 69 5.6 56 70 4.6 46 71 1 10 77 1.41 14 78 8.1 81 79 7.6 76 80 1.5 15 81 5.81 58 82 10.6 106 83 1 10 84 0.5 5 85 0.1 1 94 1.5 15 95 18.2 182 96 54.6 546 97 0.46 5 98 1 10 107 3.5 35 108 2 20 109 99.99 999 110 9.6 96 111 1 10 117 0.5 5 124 2.83 28 125 2.5 25 //