MassBank Record: JP000773



 3-CYANO-4,8-BIS(METHOXYMETHYL)-1-OXA-2-OXO-1,2-DIHYDROAZULENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000773
RECORD_TITLE: 3-CYANO-4,8-BIS(METHOXYMETHYL)-1-OXA-2-OXO-1,2-DIHYDROAZULENE; 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$NAME: 3-CYANO-4,8-BIS(METHOXYMETHYL)-1-OXA-2-OXO-1,2-DIHYDROAZULENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H13NO4 CH$EXACT_MASS: 259.08446 CH$SMILES: COCC(C=2)=c(o1)c(C(COC)=CC2)c(C#N)c(=O)1 CH$IUPAC: InChI=1S/C14H13NO4/c1-17-7-9-4-3-5-10(8-18-2)13-12(9)11(6-15)14(16)19-13/h3-5H,7-8H2,1-2H3
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$SPLASH: splash10-052b-5940000000-319afb3ed85d22e9146f PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 45 99.99 999 59 3.5 35 65 3.5 35 75 2.4 24 78 12 120 79 3 30 80 3 30 89 0.9 9 90 3.5 35 91 6 60 101 9 90 102 1.2 12 103 10 100 114 7 70 115 22 220 116 1.25 13 117 5 50 118 3.5 35 127 6.5 65 128 2 20 129 13.5 135 130 6.5 65 131 4.5 45 140 1.9 19 141 10 100 142 10 100 143 7 70 144 0.6 6 145 3.5 35 146 4 40 156 19.5 195 157 0.7 7 158 6 60 169 4 40 170 7 70 171 0.75 8 172 6.5 65 173 3.5 35 184 11 110 185 0.45 5 186 8.5 85 189 4 40 198 10.5 105 199 0.8 8 200 6.5 65 201 7.5 75 212 9.5 95 214 3 30 215 5 50 227 10 100 228 7 70 229 1.65 17 259 42 420 260 6.5 65 //