Spectrum CCMSLIB00001058702 for Pesticide4_Metalaxyl_C15H21NO4_N-(2,6-Dimethylphenyl)-N-(methoxyacetyl)-DL-alanine methyl ester

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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
n/a
57837-19-1
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
C15H21NO4
279.14705815200006
O=C(OC)C(N(C(=O)COC)C=1C(=CC=CC1C)C)C
ZQEIXNIJLIKNTD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 14k
279.147
1
positive
Pesticide_Mix4_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.9299456919886178
0.5731440863621329
280.154
[M+H]+
3.6699529546618823 ppm
-0.001028152000060345 Da