ACCESSION: MSBNK-RIKEN_NPDepo-NGA01272
RECORD_TITLE: Suksdorfin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Coumarins

CH$NAME: Suksdorfin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₂₁H₂₄O₇
CH$EXACT_MASS: 388.4212
CH$SMILES: CC(=O)OC1C(OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
CH$IUPAC: InChI=1S/C21H24O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3
CH$LINK: CAS 53023-17-9
CH$LINK: CHEMSPIDER 65344
CH$LINK: INCHIKEY KLUTZDJBVDPOFE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:455909

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+

PK$SPLASH: splash10-03di-0000900000-cb1d2794055ab6d82b65
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  410.2 1.16 1
  410.3 3.15 3
  410.4 6.03 6
  410.5 10.25 10
  410.6 18.17 18
  410.7 32.77 32
  410.8 54.4 54
  410.9 77.83 77
  411.0 94.48 94
  411.1 100.0 99
  411.2 96.47 96
  411.3 84.83 84
  411.4 62.22 62
  411.5 31.68 31
  411.6 6.03 6
  411.7 0.0 0
//