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MassBank Record: MSBNK-RIKEN_NPDepo-NGA00137

Dihydroqinghaosu, Dihydroartemisinin.; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA00137
RECORD_TITLE: Dihydroqinghaosu, Dihydroartemisinin.; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-000i-0090000000-998cf973ffa203b551c0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  284.7 1.13 1
  284.8 4.34 4
  284.9 25.88 25
  285.0 61.48 61
  285.1 92.38 92
  285.2 98.97 98
  285.3 79.97 79
  285.4 50.32 50
  285.5 24.44 24
  285.6 7.91 7
//

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