Spectrum CCMSLIB00005434451 for Azithromycin - Dark Web Drugs

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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
83905-01-05
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
C38H72N2O12
748.5085257439999
O=C1OC(CC)C(O)(C)C(O)C(N(C)CC(C)CC(O)(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C1C)C
MQTOSJVFKKJCRP-BICOPXKESA-N

Mass Spectral Metadata

NameValue
ESI
Other
Orbitrap
0.0
1
DWDA_p_1_2_1.mzXML
MS2
GNPS-LIBRARY
A. Lu, Dorrestein, mpanitchpakdi
positive
2.325049766338706
0.6038858783767215
749.516
[M+H]+
0.6614188355913605 ppm
-4.957439999770941E-4 Da