ACCESSION: MSBNK-RIKEN_NPDepo-NGA00780
RECORD_TITLE: Harpagide; 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
COMMENT: SubCategory_DNP: Monoterpenoids, Harpagide monoterpenoids

CH$NAME: Harpagide
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₂₄O₁₀
CH$EXACT_MASS: 364.3525
CH$SMILES: C[C@]1(O)CC(O)C2(O)C=COC(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C21
CH$IUPAC: InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7?,8-,9+,10-,11?,12?,13?,14+,15?/m1/s1
CH$LINK: CAS 6926-08-5
CH$LINK: CHEMSPIDER 3866787
CH$LINK: INCHIKEY XUWSHXDEJOOIND-RKYOIMIWSA-N

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$SPLASH: splash10-000i-0149000000-6f987823efd38d5d35ce
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  188.4 3.03 3
  188.5 5.48 5
  188.6 9.06 9
  188.7 12.59 12
  188.8 14.85 14
  188.9 15.3 15
  189.0 13.74 13
  189.1 10.33 10
  189.2 6.2 6
  202.2 3.34 3
  202.3 4.69 4
  202.4 6.07 6
  202.5 7.31 7
  202.6 8.74 8
  202.7 10.91 10
  202.8 13.88 13
  202.9 16.63 16
  203.0 17.99 17
  203.1 17.83 17
  203.2 16.31 16
  203.3 12.97 12
  203.4 7.99 7
  203.5 3.46 3
  206.2 1.61 1
  206.3 2.68 2
  206.4 5.96 5
  206.5 11.8 11
  206.6 18.48 18
  206.7 22.74 22
  206.8 22.85 22
  206.9 20.73 20
  207.0 19.69 19
  207.1 20.22 20
  207.2 19.9 19
  207.3 16.98 16
  207.4 12.16 12
  207.5 7.23 7
  207.6 3.78 3
  386.3 1.57 1
  386.4 5.68 5
  386.5 14.79 14
  386.6 26.86 26
  386.7 43.17 43
  386.8 65.06 64
  386.9 85.96 85
  387.0 96.33 96
  387.1 98.45 98
  387.2 99.98 99
  387.3 94.56 94
  387.4 69.41 69
  387.5 31.15 31
  387.6 3.81 3
//