Spectrum VF-NPL-QEHF011702 for MENTHOL(-)

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  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
C10H20O
156.15141526
OC1CC(C)CCC1C(C)C
NOOLISFMXDJSKH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C2_6_p10_D07_POS_QEHF_1886.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.176382461417998
0.6250993294897345
174.1852264404297
[M+NH4]+
27.377864746368935 ppm
-0.00476881957030173 Da