Spectrum VF-NPL-QEHF027910 for PILOCARPINE NITRATE

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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/C11H16N2O2.NO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;/q;-1/p+1/t8-,10-;/m0./s1
C11H17N3O5
271.116820644
O=C1OCC(CC2=C[NH+]=CN2C)C1CC.O=N(=O)[O-]
FQTIRVOROACNDP-GNAZCLTHSA-O

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2714_p9_B11_6.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.090537691387162
0.679925338185856
310.0799865722656
[M+K]+
435.8039137841882 ppm
-0.1351340717343419 Da