MassBank Record: JP000783



 5-ACETOXYIMINO-3,7-DIMETHYLCYCLOHEPTA-3,6-DIENE-1,2-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000783
RECORD_TITLE: 5-ACETOXYIMINO-3,7-DIMETHYLCYCLOHEPTA-3,6-DIENE-1,2-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ACETOXYIMINO-3,7-DIMETHYLCYCLOHEPTA-3,6-DIENE-1,2-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H11NO4 CH$EXACT_MASS: 221.06881 CH$SMILES: CC(=O)ON=C(C=1)C=C(C)C(=O)C(=O)C(C)1 CH$IUPAC: InChI=1S/C11H11NO4/c1-6-4-9(12-16-8(3)13)5-7(2)11(15)10(6)14/h4-5H,1-3H3
AC$INSTRUMENT: Unknown AC$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$SPLASH: splash10-0006-9800000000-631aded23e2ca2bc39f5 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 41 18 180 42 10 100 43 99.99 999 44 0.95 10 45 11 110 51 8 80 52 12 120 53 1.15 12 54 5 50 55 5.5 55 57 3.5 35 60 0.7 7 64 6 60 65 20.5 205 66 40.5 405 67 2.7 27 68 12 120 69 6 60 73 4 40 77 2.2 22 78 9 90 79 24.5 245 80 17 170 81 0.5 5 83 4 40 85 4.5 45 91 37 370 92 1.6 16 93 15.5 155 94 41.5 415 95 7 70 96 0.5 5 104 5 50 105 11 110 106 35 350 107 3.5 35 108 15.5 155 109 4 40 112 18 180 113 0.6 6 120 26.5 265 121 11.5 115 122 6 60 123 0.75 8 132 4.5 45 133 11 110 134 52.5 525 135 2.3 23 136 22.5 225 137 5 50 139 3.5 35 149 0.6 6 150 5 50 151 65.5 655 152 7 70 161 0.9 9 162 23 230 163 7.5 75 164 4.5 45 178 0.45 5 179 49.5 495 180 7 70 193 4.5 45 221 3 30 //