Spectrum CCMSLIB00003739971 for Desferrioxamine D1

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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
5722-48-5
InChI=1S/C27H50N6O9/c1-22(34)28-16-6-3-10-20-32(41)26(38)14-13-25(37)30-18-8-5-11-21-33(42)27(39)15-12-24(36)29-17-7-4-9-19-31(40)23(2)35/h40-42H,3-21H2,1-2H3,(H,28,34)(H,29,36)(H,30,37)
C27H50N6O9
602.36392718
O=C(N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)C)C
IEYBTYRDMTXDKO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
602.364
0
f.mice/SC_-Fe_+Fe_YEME_Langzeit_Anfang_2015/160113_CYA_14_w_V.mzXML;
MS2
GNPS-LIBRARY
Bandow, Senges, mice
positive
5.547695355166314
0.7664914851020064
603.367
[M+H]+
8.11642002306595 ppm
-0.004897180000057233 Da