Spectrum CCMSLIB00000081579 for Lauryl sulfate

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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
151-41-7
InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
C12H26O4S
266.155180312
O=S(=O)(O)OCCCCCCCCCCCC
MOTZDAYCYVMXPC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
266.155
1
gnps_Lauryl_sulfate_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Norberto Lopes
negative
2.010049651779554
0.7422497747499063
265.142
[M-H]-
22.268490092256396 ppm
-0.005904312000041045 Da