Spectrum VF-NPL-QEHF003369 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
MS2
65HCD
NP_C1_70_p6_E05_POS_QEHF_200.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
direct injection
3.229749106661949
0.6040179832008326
208.1331939697266
[M+H]+
3.3863616848520572 ppm
-7.048142734049634E-4 Da