Spectrum VF-NPL-QEHF003011 for 2-Hydroxy-5 (6)Epoxy-Tetrahydrocaryophyllene

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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/C15H26O2/c1-13(2)9-11-10(13)5-8-15(4)12(17-15)6-7-14(11,3)16/h10-12,16H,5-9H2,1-4H3
C15H26O2
238.193280072
OC1(C)CCC2OC2(C)CCC3C1CC3(C)C
KGYCKUADVHYVLM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C1_245_p4_D09_NEG_QEHF_50.raw
12
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.54310233167159
0.484675179053344
237.18601989746088
[M-H]-
0.06672172704188598 ppm
1.582546087774972E-5 Da