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MassBank Record: MSBNK-RIKEN_NPDepo-NGA02748

10-hydroxycamptothecin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

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

ACCESSION: MSBNK-RIKEN_NPDepo-NGA02748
RECORD_TITLE: 10-hydroxycamptothecin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00di-0039000000-9027078de5336bae2bf9
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  183.7 2.25 2
  183.8 3.38 3
  183.9 4.5 4
  184.0 5.37 5
  184.1 5.78 5
  184.2 5.61 5
  184.3 4.78 4
  184.4 3.37 3
  235.7 2.12 2
  235.8 3.67 3
  235.9 5.55 5
  236.0 7.13 7
  236.1 7.9 7
  236.2 7.77 7
  236.3 6.88 6
  236.4 5.35 5
  236.5 3.45 3
  263.6 2.2 2
  263.7 3.62 3
  263.8 5.51 5
  263.9 7.39 7
  264.0 8.78 8
  264.1 9.37 9
  264.2 9.1 9
  264.3 8.09 8
  264.6 4.99 4
  264.7 6.84 6
  264.8 11.0 10
  264.9 16.16 16
  265.0 20.35 20
  265.1 22.38 22
  265.2 22.21 22
  265.3 20.07 20
  265.4 15.83 15
  265.5 9.89 9
  265.6 3.97 3
  292.8 2.96 2
  292.9 4.04 4
  293.0 5.31 5
  293.1 6.57 6
  293.2 7.34 7
  293.3 6.95 6
  293.4 5.17 5
  293.5 2.68 2
  320.3 1.41 1
  320.4 3.32 3
  320.5 6.98 6
  320.6 13.64 13
  320.7 24.81 24
  320.8 41.25 41
  320.9 61.49 61
  321.0 81.19 81
  321.1 95.14 95
  321.2 100.0 99
  321.3 93.76 93
  321.4 74.8 74
  321.5 45.84 45
  321.6 17.03 17
  321.7 0.28 0
  364.4 1.28 1
  364.5 2.56 2
  364.6 4.42 4
  364.7 7.56 7
  364.8 12.69 12
  364.9 19.24 19
  365.0 25.31 25
  365.1 29.27 29
  365.2 30.34 30
  365.3 27.64 27
  365.4 20.6 20
  365.5 11.01 10
  365.6 2.83 2
//

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