Spectrum VF-NPL-LTQ001037 for protopine

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/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
C20H19NO5
353.12632270800003
O=C1C2=CC=3OCOC3C=C2CCN(C)CC4=C5OCOC5=CC=C4C1
GPTFURBXHJWNHR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
Linear Ion Trap
MX_C1_41_p21_E04_POS_iTree_02.raw
positive
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.9868112277211578
0.8285646376050972
354.1776428222656
M+H
122.39652938044664 ppm
0.043350114265592765 Da