ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003701
RECORD_TITLE: ZAPOTIN; 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$NAME: ZAPOTIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₆
CH$EXACT_MASS: 342.11034
CH$SMILES: COc(c3)c(OC)c(C(=O)2)c(c3)OC(=C2)c(c(OC)1)c(OC)ccc1
CH$IUPAC: InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
CH$LINK: INCHIKEY PBQMALAAFQMDSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80348078

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$SPLASH: splash10-004l-5309000000-039844ece4ee14c18c93
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  41 10 100
  42 3 30
  43 14 140
  44 1.4 14
  45 7 70
  50 3 30
  51 3 30
  53 0.05 1
  54 3 30
  55 8 80
  56 3 30
  57 0.08 1
  59 3 30
  60 5 50
  61 3 30
  62 0.03 0
  63 5 50
  65 5 50
  66 3 30
  67 0.05 1
  68 3 30
  69 7 70
  70 3 30
  71 0.05 1
  73 3 30
  74 3 30
  76 5 50
  77 0.05 1
  78 5 50
  79 5 50
  81 5 50
  82 0.03 0
  83 5 50
  91 5 50
  94 3 30
  95 0.03 0
  97 3 30
  105 3 30
  107 3 30
  109 0.07 1
  119 3 30
  121 3 30
  131 3 30
  135 0.08 1
  136 3 30
  137 20 200
  147 3 30
  148 0.07 1
  149 5 50
  150 3 30
  151 3 30
  161 0.03 0
  162 3 30
  166 16 160
  180 3 30
  253 0.05 1
  266 3 30
  267 3 30
  269 3 30
  282 0.03 0
  283 3 30
  284 3 30
  295 3 30
  297 0.1 1
  298 3 30
  299 3 30
  309 3 30
  311 0.08 1
  312 11 110
  313 11 110
  314 3 30
  325 0.03 0
  327 99.99 999
  328 21 210
  329 3 30
  341 0.03 0
  342 57 570
  343 13 130
//