Spectrum VF-NPL-QEHF003366 for Salsolidine

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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/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3
C12H17NO2
207.125928784
O(C=1C=C2C(=CC1OC)C(NCC2)C)C
HMYJLVDKPJHJCF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C1_70_p6_E05_POS_QEHF_198.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.150406654295611
0.727234355349929
246.0890960693359
[M+K]+
549.1210981002079 ppm
-0.13513271466408128 Da