Spectrum CCMSLIB00000078488 for Nateglinide (Starlix)

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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
105816-04-4
C19H27NO3
317.199093724
O=C(O)C(NC(=O)C1CCC(CC1)C(C)C)CC=2C=CC=CC2
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1
OELFLUMRDSZNSF-BRWVUGGUSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
317.199
1
Plate7_61_80_GD5_01_15771.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
2.8566563789296775
0.6273020652355964
318.206
[M+H]+
3.342878512677621 ppm
-0.0010637240000050951 Da