MassBank Record: JP000164



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

ACCESSION: JP000164
RECORD_TITLE: MORACIN-C; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: MORACIN-C CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H18O4 CH$EXACT_MASS: 310.12051 CH$SMILES: CC(C)=CCc(c(O)3)c(O)cc(c3)c(o1)c([H])c(c2)c(cc(O)c2)1 CH$IUPAC: InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
AC$INSTRUMENT: HITACHI M-60 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-08fr-0359000000-9f5599858c3313acc0a0 PK$NUM_PEAK: 90 PK$PEAK: m/z int. rel.int. 115 5.25 53 116 2 20 117 2.34 23 118 2.35 24 121 2.4 24 123 3.2 32 125 6.28 63 126 2.51 25 127 2.28 23 128 1.6 16 129 2.74 27 130 1.66 17 131 1.88 19 132 2.86 29 133 4.45 45 134 2.57 26 135 4.28 43 137 4 40 138 2.06 21 139 3.08 31 143 1.54 15 147 1.94 19 149 3.02 30 152 1.48 15 153 3.05 31 157 1.59 16 159 1.88 19 161 1.77 18 163 3.3 33 165 1.94 19 167 3.36 34 171 1.76 18 175 1.6 16 179 3.14 31 181 1.71 17 185 2.11 21 191 2.68 27 192 1.71 17 193 1.76 18 195 1.94 19 197 2.28 23 198 1.42 14 199 2.22 22 201 1.86 19 205 1.42 14 213 1.71 17 219 2.91 29 225 1.88 19 226 2.4 24 227 2.45 25 229 3.42 34 233 1.42 14 237 4.04 40 238 2.05 21 239 2.11 21 242 4.5 45 243 4.27 43 244 1.65 17 254 3.36 34 255 55.29 553 256 11.79 118 257 11.4 114 258 2.28 23 265 1.71 17 266 2.79 28 267 5.36 54 269 1.82 18 271 1.79 18 279 2.45 25 281 3.53 35 283 4.16 42 285 2.85 29 292 2.34 23 293 20.58 206 294 5.41 54 295 9.46 95 296 2.79 28 297 7.75 78 307 1.99 20 308 24.51 245 309 43.09 431 310 83.71 837 311 99.99 999 312 21.77 218 313 4.33 43 314 2.05 21 323 2.28 23 351 4.33 43 353 6.84 68 354 1.88 19 //