ACCESSION: MSBNK-RIKEN_NPDepo-CB000461
RECORD_TITLE: Usnone A; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids

CH$NAME: Usnone A
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₈H₁₆O₇
CH$EXACT_MASS: 344.324
CH$SMILES: CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@@]12C
CH$IUPAC: InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1
CH$LINK: CAS 6159-66-6
CH$LINK: CHEMSPIDER 405880
CH$LINK: INCHIKEY CUCUKLJLRRAKFN-MCEAHNFKSA-N
CH$LINK: PUBCHEM CID:461310

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0007-0219000000-5338c3c9aac234d36be8
PK$NUM_PEAK: 208
PK$PEAK: m/z int. rel.int.
  100.0000 21440.3984 111
  100.1000 26421.9492 137
  100.2000 9063.3086 46
  100.3000 9655.8311 49
  100.4000 33707.7266 176
  100.5000 28616.4512 149
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  100.8000 50978.5508 267
  100.9000 56772.0586 297
  101.0000 59756.6016 313
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  118.0000 7198.0039 36
  119.5000 6890.7734 35
  119.7000 9041.3975 46
  119.8000 9129.1787 47
  119.9000 6407.9800 32
  120.0000 6473.8169 33
  120.1000 5991.0239 30
  121.5000 4893.7656 24
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//