Spectrum CCMSLIB00000424845 for Tjipanazole B

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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
C23H18Cl2N2O4
456.064362416
ClC1=CC=C2NC3=C(C=CC=4C=5C=C(Cl)C=CC5N(C43)C6OCC(O)C(O)C6O)C2=C1
InChI=1S/C23H18Cl2N2O4/c24-10-1-5-16-14(7-10)12-3-4-13-15-8-11(25)2-6-17(15)27(20(13)19(12)26-16)23-22(30)21(29)18(28)9-31-23/h1-8,18,21-23,26,28-30H,9H2/t18-,21+,22-,23-/m1/s1
JEOAJYYDZYNEAH-YJSIEXFISA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
456.064
0
f.philipwi/0_WilliamsFreshwaterCyanosStandardsConvertedTo_mzXML_v2/PW-6_P1-A-6_Tjipanazole_B_456amu_01_15519-Scan726-748.mzXML;
MS2
GNPS-LIBRARY
Philip Williams, Williams, philipwi
positive
1.912746062938829
0.9829570311185312
325.019
[M+H]+
406294.19331177557 ppm
-132.053332416 Da