MassBank Record: JP005701



 P-BENZOQUINONE DIOXIME; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005701
RECORD_TITLE: P-BENZOQUINONE DIOXIME; 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$NAME: P-BENZOQUINONE DIOXIME CH$NAME: QUINONE DIOXIME CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6N2O2 CH$EXACT_MASS: 138.04293 CH$SMILES: ON=c(c1)ccc(=NO)c1 CH$IUPAC: InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6- CH$LINK: CAS 105-11-3 CH$LINK: INCHIKEY LNHURPJLTHSVMU-SFECMWDFSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9800000000-0a69d710699e60bded5e PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 18 0.81 8 26 2.42 24 27 1.24 12 28 2.18 22 29 0.79 8 30 4 40 31 0.69 7 37 1.86 19 38 2.49 25 39 5.72 57 40 2.52 25 41 1.18 12 42 1.27 13 43 1.29 13 44 1.46 15 50 3.15 32 51 6.18 62 52 16.53 165 53 9.73 97 54 1.14 11 55 0.52 5 61 1.41 14 62 2.56 26 63 8.47 85 64 6.06 61 65 4.67 47 66 2.38 24 67 0.96 10 68 1.15 12 69 0.96 10 74 0.98 10 75 1.07 11 76 4.45 45 77 4.65 47 78 17.74 177 79 3.12 31 80 2.03 20 81 0.9 9 87 0.43 4 88 0.75 8 89 0.34 3 90 5.95 60 91 4.64 46 92 1.95 20 93 0.59 6 94 0.46 5 95 2.44 24 103 2.66 27 104 0.71 7 106 1.19 12 107 4.19 42 108 6.05 61 109 0.53 5 121 0.81 8 122 2.63 26 123 1.84 18 136 1.17 12 137 0.88 9 138 99.99 999 139 10.11 101 140 0.87 9 //