ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000162
RECORD_TITLE: MORACIN-C; EI-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
CH$LINK: INCHIKEY ZTGHWUWBQNCCOH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70219182

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08fr-0195000000-f50993107453383214aa
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  36 1.69 17
  40 1.6 16
  46 1.65 17
  59 1.64 16
  61 2.18 22
  64 1.05 11
  73 3.39 34
  87 1.68 17
  88 1.08 11
  89 1.03 10
  98 3.78 38
  101 0.24 2
  114 1.16 12
  115 4.66 47
  116 1.19 12
  120 3.02 30
  128 4.49 45
  129 3.46 35
  134 10.99 110
  141 1.7 17
  143 1.27 13
  147 1.83 18
  155 1.5 15
  157 1.06 11
  158 1.01 10
  161 1.05 11
  184 1.31 13
  185 1.27 13
  197 4.38 44
  198 2.6 26
  210 1.21 12
  213 1.34 13
  221 1.44 14
  225 1.34 13
  226 8.58 86
  227 6.23 62
  237 1.18 12
  239 2.95 30
  242 16.14 161
  244 2.42 24
  253 3.12 31
  254 19.13 191
  255 82.93 829
  256 12.78 128
  257 1.19 12
  265 2.03 20
  266 7.14 71
  267 4.66 47
  278 4.77 48
  279 2.88 29
  280 2.18 22
  293 10.84 108
  294 2.3 23
  295 34.89 349
  296 6.33 63
  308 2.61 26
  309 10.39 104
  310 99.99 999
  311 20.66 207
  312 4.27 43
//