MassBank Record: JP000767



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

ACCESSION: JP000767
RECORD_TITLE: ETHYL 2-AMINO-3-CYANO-4,8-BIS(METHOXYMETHYL)AZULENE-1-CARBOXYLATE; 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$NAME: ETHYL 2-AMINO-3-CYANO-4,8-BIS(METHOXYMETHYL)AZULENE-1-CARBOXYLATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H20N2O4 CH$EXACT_MASS: 328.14231 CH$SMILES: CCOC(=O)C(C(N)=1)=C(C(COC)=2)C(=C(COC)C=CC2)C(C#N)1 CH$IUPAC: InChI=1S/C18H20N2O4/c1-4-24-18(21)16-15-12(10-23-3)7-5-6-11(9-22-2)14(15)13(8-19)17(16)20/h5-7H,4,9-10,20H2,1-3H3
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$SPLASH: splash10-0uxr-0290000000-00d4accc416d47593467 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 45 26 260 74 11.5 115 127 7 70 139 0.4 4 140 5 50 141 4 40 142 3 30 151 0.7 7 152 8.5 85 153 13 130 154 4.5 45 164 0.55 6 165 3.5 35 166 14 140 167 8 80 168 0.9 9 169 7.5 75 170 3 30 179 23 230 180 1.4 14 181 15 150 182 12 120 183 6.5 65 191 0.5 5 192 11 110 193 13 130 194 9 90 195 3.1 31 196 16 160 197 6 60 198 3.5 35 205 0.4 4 207 14.5 145 208 28 280 209 23 230 210 0.6 6 211 14 140 212 10 100 219 6 60 220 0.45 5 221 20 200 222 33.5 335 223 18 180 224 1.9 19 225 21.5 215 226 4 40 235 25 250 236 2.3 23 237 43 430 238 16 160 239 22.5 225 240 0.5 5 250 69 690 251 29 290 252 94 940 253 2.5 25 254 4.5 45 255 15.5 155 256 4 40 267 99.99 999 268 14 140 269 6.5 65 281 3.5 35 282 4.75 48 283 24 240 284 7 70 296 10 100 297 0.85 9 298 5.5 55 328 42 420 329 17 170 //