Spectrum FiehnHILIC001341 for N,N-Dimethylformamide

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  • Originally submitted to the Fiehn Lab HILIC 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
ZMXDDKWLCZADIW-UHFFFAOYSA-N
C3H7NO
73.052763844
O=CN(C)C
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3

Mass Spectral Metadata

NameValue
M + 0
negative
HCD (NCE 20-30-40%)
1240
7.389417
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.23273078511317702
0.3357595495449755
72.04418
[M-H]-
18.15336089599242 ppm
-0.0013078439999958391 Da