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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000139

CERVICARCIN; FD-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000139
RECORD_TITLE: CERVICARCIN; 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$NAME: CERVICARCIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20O9
CH$EXACT_MASS: 392.11073
CH$SMILES: CC(O1)C1C(=O)C(O)(C(C)3)C(O)C(C(O)4)(O2)C(C(=O)c(c5)c(c(O)cc5)4)(C(O)3)2
CH$IUPAC: InChI=1S/C19H20O9/c1-6-12(21)18-13(22)8-4-3-5-9(20)10(8)14(23)19(18,28-18)16(25)17(6,26)15(24)11-7(2)27-11/h3-7,11-12,14,16,20-21,23,25-26H,1-2H3
CH$LINK: INCHIKEY ZGZVMKCZHDIFQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30940167

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$SPLASH: splash10-0006-0009000000-da8bad7164d882e63056
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  115 10.22 102
  127 5.36 54
  188 2.14 21
  257 1.31 13
  283 1.85 19
  288 1.23 12
  299 1.35 14
  306 5.34 53
  307 1.54 15
  332 2.81 28
  334 1.38 14
  336 1.76 18
  356 6.79 68
  359 1.97 20
  362 1.88 19
  374 1.81 18
  389 4.48 45
  392 99.99 999
  393 19.07 191
  394 9.87 99
  395 1.71 17
//

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