Spectrum VF-NPL-QEHF000354 for 1-indanol

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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/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
C9H10O
134.07316494
OC1C=2C=CC=CC2CC1
YIAPLDFPUUJILH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
120_40_POS_QEHF_1122.raw
7
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.4120660058415364
0.6563562478385611
135.0804443359375
[M+H]+
5.112539167999993 ppm
-6.906040624983234E-4 Da