Spectrum CCMSLIB00003739978 for Desferrioxamine X1

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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/C25H44N6O9/c32-20-8-12-24(36)30(39)18-6-4-16-28-22(34)10-13-25(37)31(40)19-7-3-15-27-21(33)9-11-23(35)29(38)17-5-1-2-14-26-20/h38-40H,1-19H2,(H,26,32)(H,27,33)(H,28,34)
C25H44N6O9
572.316976988
O=C1N(O)CCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCN=C(O)CC1
YEUGMACLLZSLDG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
572.317
0
f.mice/SC_-Fe_+Fe_YEME_Langzeit_Anfang_2015/160113_CFA_14_w_v.mzXML;
MS2
GNPS-LIBRARY
Bandow, Senges, mice
positive
3.6233349875590712
0.52014389991148
573.325
[M+H]+
0.09246413479325612 ppm
5.301200008034357E-5 Da