Spectrum VF-NPL-QEHF002712 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
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
O=C1OCC=2C(=O)N3C(=CC2C1(O)CC)C=4N=C5C=CC(O)=CC5=CC4C3
HAWSQZCWOQZXHI-FQEVSTJZSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C1_152_p6_F09_NEG_QEHF_96.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.8278305570555706
0.5405795910917095
363.0986022949219
[M-H]-
0.1192983884695755 ppm
-4.331707810933949E-5 Da