MassBank Record: JP002814



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

ACCESSION: JP002814
RECORD_TITLE: NARCEINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: NARCEINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H27NO8 CH$EXACT_MASS: 445.17367 CH$SMILES: CN(C)CCc(c1)c(CC(=O)c(c3)c(C(O)=O)c(OC)c(OC)c3)c(OC)c(O2)c(OC2)1 CH$IUPAC: InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)
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: splash10-0a4i-9210000000-c6c3c934ee19f8db8182 PK$NUM_PEAK: 189 PK$PEAK: m/z int. rel.int. 35 1 10 36 3.9 39 37 0.9 9 38 0.22 2 39 2.4 24 40 1 10 41 4.4 44 42 0.42 4 43 3.4 34 44 8.2 82 45 3.6 36 46 0.12 1 49 0.2 2 50 1.4 14 51 1.9 19 52 0.04 0 53 1 10 54 0.9 9 55 3.1 31 56 0.02 0 57 3.1 31 58 99.99 999 59 5.2 52 60 0.01 0 61 0.4 4 62 0.2 2 63 0.9 9 64 0.01 0 65 1.4 14 66 0.9 9 67 2 20 68 0.09 1 69 2.1 21 70 1.9 19 71 2 20 72 0.04 0 73 1.1 11 74 1.2 12 75 2 20 76 0.22 2 77 3.1 31 78 1.4 14 79 1.8 18 80 0.09 1 81 1.4 14 82 1 10 83 1.4 14 84 0.01 0 85 0.9 9 86 0.4 4 87 0.9 9 88 0.07 1 89 1.4 14 90 1.2 12 91 2.1 21 92 0.01 0 93 1.2 12 94 0.9 9 95 0.9 9 96 0.12 1 97 0.4 4 98 1.2 12 99 0.2 2 101 0.04 0 102 1 10 103 1.1 11 104 1 10 105 0.16 2 106 1.4 14 107 1.1 11 108 0.4 4 109 0.01 0 110 0.2 2 111 0.4 4 112 0.4 4 113 0.11 1 115 1.2 12 116 0.4 4 117 1.6 16 118 0.11 1 119 1.2 12 120 1 10 121 1.4 14 122 0.11 1 123 0.4 4 124 0.4 4 125 0.4 4 126 0.09 1 127 0.7 7 128 0.6 6 129 0.4 4 145 0.04 0 146 0.9 9 147 1.4 14 148 1.2 12 149 0.12 1 150 1 10 151 1.2 12 152 1.2 12 153 0.11 1 161 1.1 11 162 0.9 9 163 1.6 16 164 0.09 1 165 2.9 29 166 1 10 167 0.9 9 174 0.04 0 175 1.1 11 176 2.1 21 177 1.2 12 178 0.13 1 179 0.9 9 180 0.4 4 187 0.2 2 188 0.04 0 189 0.5 5 190 1.6 16 191 1.7 17 192 0.12 1 193 1.8 18 194 0.9 9 195 0.4 4 196 0.05 1 197 0.1 1 202 0.2 2 203 1.7 17 204 0.15 2 205 0.9 9 206 0.4 4 207 0.2 2 208 0.01 0 217 0.6 6 218 2.1 21 219 1.8 18 220 0.16 2 221 1 10 222 0.7 7 223 0.9 9 224 0.04 0 231 0.2 2 232 1 10 233 0.9 9 234 1.09 11 235 2.1 21 236 2.2 22 237 1 10 238 0.09 1 239 0.1 1 248 0.2 2 249 0.5 5 250 0.04 0 251 0.1 1 264 0.1 1 265 0.3 3 266 0.03 0 267 0.2 2 279 0.2 2 280 0.4 4 281 0.01 0 290 0.2 2 291 0.2 2 292 0.1 1 306 0.01 0 307 0.4 4 308 0.1 1 323 0.2 2 324 0.01 0 350 0.1 1 351 0.2 2 352 1.2 12 353 0.04 0 354 0.1 1 364 0.1 1 365 0.2 2 366 0.02 0 367 0.1 1 380 0.4 4 381 0.2 2 382 0.09 1 383 0.2 2 412 0.2 2 424 0.2 2 425 0.01 0 426 0.4 4 427 3.8 38 428 1.2 12 429 0.04 0 445 0.2 2 //