Spectrum CCMSLIB00000478495 for N-hydroxynotoamide I_130069

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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
C26H27N3O5
461.19507096399997
O=C1NC23C(=O)C=4C=5C=CC=6OC(C=CC6C5N(O)C4C(C)(C)C3CC17N(C2=O)CCC7)(C)C
InChI=1S/C26H27N3O5/c1-23(2)10-8-13-15(34-23)7-6-14-17-19(29(33)18(13)14)24(3,4)16-12-25-9-5-11-28(25)22(32)26(16,20(17)30)27-21(25)31/h6-8,10,16,33H,5,9,11-12H2,1-4H3,(H,27,31)/t16?,25-,26+/m0/s1
WUZAONONDREMBU-FFSRJTDBSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
461.195
1
P2_C1_conc_GE1_01_2419.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.6517918318192457
0.773930847803071
462.202
[M+H]+
2.252184109911544 ppm
-0.0010409639999693354 Da