Spectrum CCMSLIB00000078568 for Naloxone HCl

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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
357-08-4, 465-65-6 (free base)
C19H22ClNO4
363.123735864
Cl.O=C1CCC2(O)C3N(CC=C)CCC42C5=C(OC14)C(O)=CC=C5C3
InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1
RGPDIGOSVORSAK-STHHAXOLSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial
qTof
327.147
1
Plate9_21_40_GC5_01_15753.mzXML
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.683702494939778
0.5664803059808915
328.154
[M+H]+
109636.65188905218 ppm
-35.97770586400003 Da