Spectrum LIT00014 for C12EOx

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/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
FKMHSNTVILORFA-UHFFFAOYSA-N
C18H38O4
318.277009696
OCCOCCOCCOCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
LIT00014
2016.02.03 (Created 2013.01.31)
E. Schymanski; retrieved from M. Castillo et al. 2000
CC0
Copyright (C) Elsevier Ltd. 2000
Castillo, M.; Riu, J.; Ventura, F.; Boleda, R.; Scheding, R.; Schröder, H. F.; Nistor, C.; Émneus, J.; Eichhorn, P.; Knepper, T. .; et al. Inter-Laboratory Comparison of Liquid Chromatographic Techniques and Enzyme-Linked Immunosorbent Assay for the Determination of Surfactants in Wastewaters. Journal of Chromatography A 2000, 889 (1–2), 195–209. DOI:10.1016/s0021-9673(00)00398-8
318.277
VG Platform
LC-APCI-Q
MS1
APCI
Hand-digitised from figures
positive
2.1455084464268404
0.8364720497055715