ACCESSION: MSBNK-RIKEN_NPDepo-NGA01271
RECORD_TITLE: Suksdorfin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-03di-0000900000-d50366bc5cc8d5520c23
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  308.4 1.57 1
  308.5 3.19 3
  308.6 5.54 5
  308.7 7.81 7
  308.8 9.07 9
  308.9 9.12 9
  309.0 8.46 8
  309.1 7.62 7
  309.2 6.46 6
  309.3 4.66 4
  309.4 2.54 2
  410.4 1.42 1
  410.5 4.66 4
  410.6 14.75 14
  410.7 33.17 33
  410.8 57.4 57
  410.9 80.74 80
  411.0 95.94 95
  411.1 100.0 99
  411.2 94.67 94
  411.3 81.53 81
  411.4 59.94 59
  411.5 32.7 32
  411.6 9.07 9
  411.7 0.14 0
//