MassBank Record: JP000763



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

ACCESSION: JP000763
RECORD_TITLE: 5-CHLORO-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$NAME: 5-CHLORO-3,7-BIS(METHOXYMETHYL)TROPOLONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H13ClO4 CH$EXACT_MASS: 244.05024 CH$SMILES: COCC(C=1)=C(O)C(=O)C(COC)=CC(Cl)1 CH$IUPAC: InChI=1S/C11H13ClO4/c1-15-5-7-3-9(12)4-8(6-16-2)11(14)10(7)13/h3-4H,5-6H2,1-2H3,(H,13,14)
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$SPLASH: splash10-03xu-6950000000-44ec79d63eead692578c PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 45 52 520 51 10 100 53 5 50 55 0.6 6 59 3.5 35 63 8 80 65 15 150 75 0.5 5 76 2 20 77 60 600 78 13 130 79 0.8 8 85 22 220 86 3.5 35 89 30.5 305 90 0.8 8 91 47 470 92 4.5 45 93 5.5 55 99 1.2 12 101 5 50 105 7 70 106 3.5 35 107 0.35 4 111 3 30 112 5 50 113 16 160 115 0.7 7 117 3 30 118 3.5 35 119 4 40 121 5.3 53 122 4 40 123 3 30 124 7.5 75 125 2.15 22 126 11 110 127 17 170 128 12 120 129 0.9 9 130 6 60 135 3 30 139 8 80 141 1.4 14 142 3 30 143 4 40 144 6 60 145 0.3 3 149 7.5 75 152 9 90 153 8 80 154 2.25 23 155 23 230 156 11 110 157 9 90 158 1.6 16 160 5.5 55 167 14 140 169 95.5 955 170 1.45 15 171 3 30 177 6.5 65 180 3 30 181 0.9 9 182 11.5 115 183 8 80 184 14.5 145 185 0.35 4 186 7.5 75 197 14 140 199 5 50 212 99.99 999 213 21 210 214 66 660 215 5 50 216 0.7 7 244 47 470 245 7 70 246 12.5 125 247 3.5 35 //