Spectrum CCMSLIB00005723635 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
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
ESI
Crude
qTof
602.363
1
ED25_P1-B-3_01_2172.mzXML
MS2
GNPS-LIBRARY
S Jarmusch, mpanitchpakdi, Jaspars
positive
2.5780345068578994
0.3391971100208029
603.364
[M+H]+
13.088583342702403 ppm
-0.007897179999986292 Da