Spectrum CCMSLIB00003739979 for Desferrioxamine B

Rating: (*)★(*)★(*)★(*)☆( )☆

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
70-51-9
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
C25H48N6O8
560.353362496
O=C(N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN)C
UBQYURCVBFRUQT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
560.353
0
f.mice/SC_-Fe_+Fe_YEME_Langzeit_Anfang_2015/160113_CYB_3_w_V.mzXML;
MS2
GNPS-LIBRARY
Bandow, Senges, mice
positive
6.273493830472905
0.8181295206450491
561.366
[M+H]+
8.314547015565571 ppm
0.0046675039999399814 Da