ACCESSION: MSBNK-RIKEN_NPDepo-NGA01269
RECORD_TITLE: Suksdorfin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-0005-0091000000-928fab05d332d838c45d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  226.4 3.63 3
  226.5 5.64 5
  226.6 9.41 9
  226.7 16.96 16
  226.8 28.01 27
  226.9 38.29 38
  227.0 41.83 41
  227.1 36.67 36
  227.2 26.2 26
  227.3 15.37 15
  227.4 6.71 6
  227.5 2.18 2
  244.1 2.14 2
  244.2 4.42 4
  244.3 7.34 7
  244.4 9.0 8
  244.5 10.04 10
  244.6 15.95 15
  244.7 32.9 32
  244.8 59.91 59
  244.9 86.46 86
  245.0 100.0 99
  245.1 94.51 94
  245.2 72.56 72
  245.3 42.91 42
  245.4 16.82 16
  245.5 2.66 2
  308.4 2.63 2
  308.5 4.42 4
  308.6 7.43 7
  308.7 12.03 12
  308.8 16.93 16
  308.9 19.17 19
  309.0 17.04 17
  309.1 12.16 12
  309.2 7.53 7
  309.3 4.58 4
//