MassBank Record: JP003661



 DEOXYSERICEALACTONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003661
RECORD_TITLE: DEOXYSERICEALACTONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DEOXYSERICEALACTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H20O4 CH$EXACT_MASS: 276.13616 CH$SMILES: COC(=O)C(=C)C(C1)C(C)(C=C)CC(O2)C(=C(C)C(=O)2)1 CH$IUPAC: InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3 CH$LINK: INCHIKEY ODNZGWQSPYLHGS-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9500000000-30e6dd1b946699f0f7b7 PK$NUM_PEAK: 211 PK$PEAK: m/z int. rel.int. 15 12.8 128 17 2.6 26 18 9.3 93 26 0.26 3 27 34.6 346 28 28 280 29 28 280 30 0.22 2 31 15.1 151 32 6.2 62 39 49.3 493 40 1.11 11 41 72.8 728 42 8.8 88 43 99.99 999 44 0.75 8 45 14.2 142 50 4.9 49 51 19.5 195 52 1.11 11 53 59.5 595 54 13.7 137 55 43.1 431 56 0.57 6 57 12.4 124 58 11.5 115 59 36.4 364 60 0.22 2 61 0.8 8 62 1.3 13 63 9.3 93 64 0.08 1 65 31.1 311 66 9.3 93 67 37.7 377 68 2.26 23 69 36.4 364 70 6.2 62 71 19.5 195 72 0.26 3 73 3.1 31 74 5.3 53 75 3.1 31 76 0.17 2 77 53.5 535 78 14.2 142 79 41.3 413 80 1.11 11 81 37.7 377 82 20 200 83 15.5 155 84 0.66 7 85 11.1 111 86 2.6 26 87 5.7 57 88 0.08 1 89 4 40 90 1.3 13 91 86.6 866 92 0.2 2 93 49.3 493 94 12.4 124 95 36.4 364 96 1.11 11 97 12.8 128 98 5.7 57 99 8.8 88 100 0.22 2 101 2.2 22 102 2.2 22 103 9.7 97 104 0.53 5 105 43.1 431 106 10.6 106 107 34.6 346 108 1.42 14 109 28.4 284 110 20.8 208 111 11.5 115 112 0.93 9 113 6.2 62 114 2.2 22 115 12.4 124 116 0.53 5 117 11.5 115 118 5.3 53 119 36 360 120 3.33 33 121 48.8 488 122 13.3 133 123 17.7 177 124 0.88 9 125 8.4 84 126 5.3 53 127 5.7 57 128 0.88 9 129 8.8 88 130 3.5 35 131 13.7 137 132 0.75 8 133 21.3 213 134 8.8 88 135 18.6 186 136 0.93 9 137 12 120 138 4.4 44 139 4.4 44 140 0.26 3 141 4.4 44 142 3.5 35 143 8 80 144 0.35 4 145 12.4 124 146 4.8 48 147 22 220 148 2.88 29 149 26 260 150 7.5 75 151 12 120 152 0.75 8 153 6.2 62 154 2.2 22 155 3.1 31 156 0.22 2 157 5.3 53 158 3.1 31 159 16 160 160 0.75 8 161 15.5 155 162 8.8 88 163 11.1 111 164 1.33 13 165 12 120 166 4.4 44 167 3.1 31 168 0.13 1 169 2.2 22 170 1.7 17 171 8 80 172 0.31 3 173 8 80 174 4 40 175 12 120 176 0.35 4 177 21.3 213 178 4.9 49 179 15.5 155 180 0.44 4 181 2.2 22 183 2.2 22 185 3.1 31 186 0.22 2 187 7.1 71 188 5.3 53 189 9.7 97 190 0.44 4 191 4.4 44 192 3.1 31 193 5.7 57 194 0.13 1 195 1.3 13 196 0.4 4 197 1.3 13 198 0.31 3 199 8.8 88 200 3.1 31 201 5.3 53 202 0.08 1 203 8 80 204 4.4 44 205 3.5 35 206 0.22 2 207 2.6 26 208 4.8 48 209 2.6 26 214 0.26 3 215 4.4 44 216 9.7 97 217 8.8 88 218 0.04 0 219 2.6 26 220 3.5 35 221 2.2 22 222 0.13 1 223 1.7 17 224 1.3 13 225 1.3 13 226 0.13 1 227 1.3 13 228 1.3 13 229 1.3 13 230 0.13 1 231 1.3 13 232 1.3 13 233 3.1 31 243 0.13 1 244 12 120 245 6.6 66 246 4 40 247 0.22 2 248 1.3 13 262 3.5 35 263 0.8 8 268 0.17 2 269 1.3 13 270 0.4 4 272 1.3 13 274 0.22 2 275 0.8 8 276 11.2 112 277 2.2 22 //