MassBank Record: JP002252



 3-(3-METHYL-3-BUTENYL)HEPTA-2,6-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002252
RECORD_TITLE: 3-(3-METHYL-3-BUTENYL)HEPTA-2,6-DIONE; 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$NAME: 3-(3-METHYL-3-BUTENYL)HEPTA-2,6-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O2 CH$EXACT_MASS: 196.14633 CH$SMILES: CC(=C)CCC(CCC(C)=O)C(C)=O CH$IUPAC: InChI=1S/C12H20O2/c1-9(2)5-7-12(11(4)14)8-6-10(3)13/h12H,1,5-8H2,2-4H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-004i-2900000000-25ac693cdc7acee56329 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 43 3.3 33 71 17.03 170 72 2.61 26 85 5.77 58 86 2.32 23 93 7.11 71 95 22.41 224 96 2.62 26 97 2.66 27 99 2.97 30 100 3.36 34 105 8.76 88 106 2.09 21 107 6.4 64 108 5.15 52 109 2.75 28 110 4.27 43 111 2.84 28 113 3.08 31 118 2.89 29 119 4.51 45 120 19.95 200 121 6.94 69 123 7.95 80 125 10.03 100 126 3.46 35 128 99.99 999 129 8.6 86 135 7.58 76 138 7.76 78 139 9.81 98 141 11.27 113 145 9.79 98 153 2.6 26 158 3.5 35 160 10.99 110 178 9.9 99 196 9.71 97 //