Spectrum VF-NPL-LTQ007696 for ANISOMYCIN

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1
C14H19NO4
265.131408088
O=C(OC1C(O)CNC1CC2=CC=C(OC)C=C2)C
YKJYKKNCCRKFSL-BFHYXJOUSA-N

Mass Spectral Metadata

NameValue
35
NP_UC_2647_p09_G02_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.1338317167927547
0.8178866975097635
266.12208302815753
M+H
64.98919460448448 ppm
-0.017295059842467708 Da