ACCESSION: MSBNK-RIKEN_NPDepo-NGA00138
RECORD_TITLE: Dihydroqinghaosu, Dihydroartemisinin.; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids

CH$NAME: Dihydroqinghaosu, Dihydroartemisinin.
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₂₄O₅
CH$EXACT_MASS: 284.3555
CH$SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)OC3O[C@]4(C)CCC1C32OO4
CH$IUPAC: InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10?,11+,12+,13?,14+,15?/m1/s1
CH$LINK: CAS 71939-50-9
CH$LINK: CHEMSPIDER 2272104
CH$LINK: INCHIKEY BJDCWCLMFKKGEE-LVSKYXAASA-N
CH$LINK: PUBCHEM CID:44713104

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+H]+

PK$SPLASH: splash10-000i-0090000000-7e0b44753a6ce33e3a45
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  284.5 1.65 1
  284.6 4.77 4
  284.7 15.25 15
  284.8 32.9 32
  284.9 49.88 49
  285.0 59.98 59
  285.1 69.04 68
  285.2 85.06 84
  285.3 99.08 98
  285.4 91.44 91
  285.5 59.06 59
  285.6 22.05 22
  285.7 2.47 2
//