Spectrum CCMSLIB00004679953 for Camptothecine

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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
7689-03-4
InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
C20H16N2O4
348.111006992
O=C1OCC=2C(=O)N3C(=CC2C1(O)CC)C=4N=C5C=CC=CC5=CC4C3
VSJKWCGYPAHWDS-FQEVSTJZSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
348.111
1
Camptothecine.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
3.9930800776927193
0.7543642790117518
349.118
[M+H]+
2.798457828027598 ppm
-9.76992000005339E-4 Da