Spectrum VF-NPL-LTQ006426 for Salsolidine

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
35
NP_C1_70_p6_E05_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.9729875669518461
0.8856514504597764
245.8955405740177
M+H
153567.81868376734 ppm
37.761641790017705 Da