Spectrum VF-NPL-QEHF002717 for 10-Hydroxycamptothecin

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
O=C1OCC=2C(=O)N3C(=CC2C1(O)CC)C=4N=C5C=CC(O)=CC5=CC4C3
HAWSQZCWOQZXHI-FQEVSTJZSA-N
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/t20-/m0/s1
C20H16N2O5
364.105921612

Mass Spectral Metadata

NameValue
45HCD
NP_C1_152_p6_F09_POS_QEHF_94.raw
11
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.773202665468954
0.5317807916277092
365.1131896972656
[M+H]+
1.9224578956785388 ppm
-7.019147343498844E-4 Da