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Chlortetracycline

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001818

Dataset description:

This MassBank record with Accession MSBNK-Waters-WA001818 contains the MS mass spectrum of Chlortetracycline with the InChIkey CYDMQBQPVICBEU-XRNKAMNCSA-N.

Source: Chlortetracycline; LC-ESI-Q; MS; POS; 60 V

Chemical Info

molecular Image

InChI	InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
SMILES	NC(=O)C(=C(O)4)C(=O)C(O)(C(O)=1)C([H])(C(N(C)C)4)CC([H])(C(C)(O)2)C(C(=O)c(c(O)3)c(c(Cl)cc3)2)1
InChI Key	CYDMQBQPVICBEU-XRNKAMNCSA-N
Exact Mass	478.114 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
Id	55b8fea1-1f32-4daa-92f3-1da8a967cadd
Package id	msbnk-waters-wa001818
Resource type	HTML
State	active