MassBank Record: JP000163

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MORACIN-C; FD-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000163
RECORD_TITLE: MORACIN-C; FD-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: 310.12051000000002431988832540810108184814453125
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$LINK: COMPTOX DTXSID70219182
CH$LINK: INCHIKEY ZTGHWUWBQNCCOH-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-0009000000-b7545143bf1de6105c5f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  197 14.39 144
  295 4.81 48
  310 99.99 999
  311 47.35 474
  312 18.01 180
//