MassBank Record: JP001190



 1,10-DIHYDRO-11,13-DEHYDROMATRICARIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001190
RECORD_TITLE: 1,10-DIHYDRO-11,13-DEHYDROMATRICARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,10-DIHYDRO-11,13-DEHYDROMATRICARIN CH$NAME: MONTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H20O5 CH$EXACT_MASS: 304.13107 CH$SMILES: CC(=O)OC([H])(C1)C([H])(C(=C)3)C([H])(OC(=O)3)C([H])(C(C)=2)C([H])(C(=O)C([H])2)C([H])(C)1 CH$IUPAC: InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,8,12-16H,3,6H2,1-2,4H3/t8-,12-,13+,14-,15+,16+/m0/s1
AC$INSTRUMENT: JEOL JMS-D-100 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00xs-2920000000-9a1dfcc331d53e1a1b1d PK$NUM_PEAK: 176 PK$PEAK: m/z int. rel.int. 43 37.43 374 44 10.16 102 45 3.2 32 55 4.18 42 56 2.13 21 57 8.56 86 58 1.87 19 59 2.4 24 60 12.83 128 61 2.67 27 67 3.2 32 68 2.94 29 69 10.16 102 70 3.2 32 71 10.16 102 72 1.6 16 73 5.34 53 79 4.27 43 80 11.49 115 81 11.5 115 82 21.79 218 83 12.96 130 84 8.28 83 85 8.26 83 86 5.61 56 87 3.07 31 88 2.01 20 91 5.34 53 92 8.82 88 93 18.55 186 94 12.7 127 95 30.42 304 96 29.06 291 97 21.92 219 98 10.02 100 99 10.01 100 100 4.01 40 101 3.2 32 105 11.22 112 106 8.55 86 107 16.04 160 108 14.3 143 109 20.05 201 110 8.02 80 111 16.04 160 112 4.67 47 113 6.81 68 114 5.34 53 115 5.32 53 117 3.74 37 118 2.54 25 119 16.63 166 120 75.26 753 121 35.02 350 122 85.96 860 123 28.87 289 124 8.28 83 125 10.69 107 126 4.67 47 127 3.2 32 128 2.54 25 129 10.64 106 130 3.74 37 131 8.55 86 132 5.34 53 133 14.43 144 134 8.28 83 135 36.63 366 136 16.57 166 137 11.23 112 138 8.02 80 139 6.15 62 140 2.94 29 141 3.2 32 142 2.67 27 143 5.88 59 144 5.88 59 145 13.1 131 146 8.55 86 147 31.55 316 148 99.99 999 149 34.22 342 150 13.1 131 151 8.28 83 152 5.08 51 153 5.34 53 154 2.94 29 155 8.02 80 156 4.54 45 157 10.42 104 158 5.08 51 159 11.22 112 160 5.34 53 161 10.69 107 162 8.82 88 163 7.75 78 164 7.75 78 165 76.47 765 166 16.57 166 167 36.89 369 168 8.28 83 169 7.48 75 170 3.47 35 171 8.55 86 172 13.9 139 173 24.86 249 174 8.28 83 175 8.56 86 176 5.08 51 177 9.84 98 178 3.47 35 179 5.61 56 180 3.21 32 181 8.55 86 182 10.16 102 183 13.9 139 184 10.16 102 185 11.22 112 186 3.47 35 187 5.88 59 188 5.88 59 189 8.55 86 190 13.1 131 191 6.95 70 192 2.67 27 193 2.94 29 194 1.6 16 195 2.4 24 196 2.4 24 197 5.34 53 198 8.02 80 199 8.55 86 200 12.29 123 201 20.85 209 202 14.7 147 203 13.63 136 204 10.16 102 205 3.2 32 206 1.87 19 207 23.26 233 208 7.48 75 209 4.01 40 210 1.33 13 211 11.22 112 212 1.87 19 213 4.81 48 214 2.94 29 215 5.61 56 216 12.83 128 217 4.81 48 218 8.55 86 219 2.67 27 220 2.67 27 225 2.94 29 226 34.49 345 227 7.48 75 228 13.63 136 229 8.55 86 230 2.13 21 231 5.88 59 232 2.13 21 242 2.4 24 243 1.6 16 244 57.21 572 245 11.22 112 246 51.06 511 247 9.35 94 256 2.13 21 260 2.13 21 262 4.27 43 264 2.67 27 286 2.4 24 289 1.06 11 304 5.34 53 305 1.06 11 306 2.94 29 //