Spectrum CCMSLIB00005435751 for Schizokinen

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
InChI=1S/C16H28N4O9/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22/h27-29H,3-10H2,1-2H3,(H,17,23)(H,18,24)(H,25,26)
C16H28N4O9
420.185628476
O=C(O)C(O)(CC(O)=NCCCN(O)C(=O)C)CC(O)=NCCCN(O)C(=O)C
YILWWVUXGMGOAM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
0.0
1
f.jgauglitz/Siderophore_samples/standards/qtof/mzXML/12min_SEED_protocol/11_12min_GC3_01_43568.mzXML;
MS2
GNPS-LIBRARY
Julia Gauglitz, Pieter Dorrestein, jgauglitz
positive
3.346114964367575
0.8597814667835572
421.199
[M+H]+
12.824161500942195 ppm
0.0054015240000353515 Da