Spectrum EQ370308 for Fenamiphos-sulfone

Rating: (*)(*)(*)(*)(*)

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/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)
LVNYJXIBJFXIRZ-UHFFFAOYSA-N
C13H22NO5PS
335.095630434
O=P(OC1=CC=C(C(=C1)C)S(=O)(=O)C)(OCC)NC(C)C

Mass Spectral Metadata

NameValue
335.09563
EQ370308
2015.08.25
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens
CC BY
Copyright (C) 2015 Eawag, Duebendorf, Switzerland
Q Exactive Plus Orbitrap Thermo Scientific
LC-ESI-QFT
MS2
ESI
HCD
150 (nominal)
35000
XBridge C18 3.5um, 2.1x50mm, Waters
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
200 ul/min
7.5 min
water with 0.1% formic acid
methanol with 0.1% formic acid
loess on assigned fragments and MS1
Peaks with additional N2/O included
RMassBank 1.9.6
positive
2.7683454257708213
0.7040865196894961
336.1029
[M+H]+
2.0839867790769104 ppm
-7.004340000094089E-4 Da