MassBank Record: JP000766



 3,7-BIS(METHOXYMETHYL)TROPOLONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000766
RECORD_TITLE: 3,7-BIS(METHOXYMETHYL)TROPOLONE; 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$NAME: 3,7-BIS(METHOXYMETHYL)TROPOLONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O4 CH$EXACT_MASS: 210.08921 CH$SMILES: COCC(C=1)=C(O)C(=O)C(COC)=CC1 CH$IUPAC: InChI=1S/C11H14O4/c1-14-6-8-4-3-5-9(7-15-2)11(13)10(8)12/h3-5H,6-7H2,1-2H3,(H,12,13)
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$SPLASH: splash10-004i-3900000000-79a96e34dff49ea987d5 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 45 12 120 65 10 100 66 5 50 77 2.6 26 78 6 60 79 20 200 80 3 30 85 1 10 89 5 50 90 6.5 65 91 34 340 92 1.2 12 93 3 30 94 8 80 105 8 80 107 1.3 13 108 3 30 118 5 50 119 8 80 120 0.6 6 121 33 330 122 9.5 95 124 6 60 133 1.8 18 135 52.5 525 136 9 90 147 6 60 148 1.05 11 149 4.5 45 150 7 70 163 9.5 95 178 99.99 999 179 10 100 180 15.5 155 181 3 30 210 1.7 17 211 8 80 //