ACCESSION: MSBNK-RIKEN_NPDepo-NGA02747
RECORD_TITLE: 10-hydroxycamptothecin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: SubCategory_DNP: : Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: 10-hydroxycamptothecin
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₁₆N₂O₅
CH$EXACT_MASS: 364.3609
CH$SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1
CH$IUPAC: InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
CH$LINK: CAS 19685-09-7
CH$LINK: CHEMSPIDER 87754 3534982 19979630
CH$LINK: INCHIKEY HAWSQZCWOQZXHI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4330531

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$SPLASH: splash10-014i-0009000000-0ce264aab41e24cce81a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  320.4 1.18 1
  320.5 2.89 2
  320.6 5.2 5
  320.7 8.13 8
  320.8 12.09 12
  320.9 17.21 17
  321.0 22.62 22
  321.1 26.82 26
  321.2 28.54 28
  321.3 26.84 26
  321.4 21.24 21
  321.5 12.85 12
  321.6 4.74 4
  321.7 0.16 0
  364.3 0.99 0
  364.4 3.92 3
  364.5 9.33 9
  364.6 17.42 17
  364.7 29.06 29
  364.8 45.34 45
  364.9 65.14 65
  365.0 84.03 83
  365.1 96.78 96
  365.2 100.0 99
  365.3 91.31 91
  365.4 69.66 69
  365.5 39.75 39
  365.6 12.81 12
  365.7 0.0 0
//