Spectrum VF-NPL-LTQ007722 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
35
NP_UC_2714_p09_B11_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.0573646119397693
0.7627273410284942
310.12708259351325
M+K
283.87733747880566 ppm
-0.0880380504867162 Da