Spectrum VF-NPL-QEHF027905 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
271.11682064400003
O=C1OCC(CC2=C[NH+]=CN2C)C1CC.O=N(=O)[O-]
FQTIRVOROACNDP-GNAZCLTHSA-O

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2714_p9_B11_9.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.4889731393606405
0.6747865659595561
270.1095275878906
[M-H]-
0.06314516028378797 ppm
-1.7056109413715603E-5 Da