Spectrum FiehnHILIC001429 for Palmitic acid

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
IPCSVZSSVZVIGE-UHFFFAOYSA-N
C16H32O2
256.240230264
O=C(O)CCCCCCCCCCCCCCC
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

Mass Spectral Metadata

NameValue
LC-ESI-QFT
M + 0
negative
1.06925
HCD (NCE 20-30-40%)
101
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.6412190275368119
0.1904255105318108
255.233
[M-H]-
0.1791931294312501 ppm
4.5736000004126254E-5 Da