Spectrum NA002995 for [6]-Gingerol

Rating: (*)★(*)★(*)★(*)★(*)★

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/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
NLDDIKRKFXEWBK-UHFFFAOYSA-N
C17H26O4
294.183109312
O=C(CCC1=CC=C(O)C(OC)=C1)CC(O)CCCCC

Mass Spectral Metadata

NameValue
Peaks with additional N2/O included
RMassBank 2.14.1
NA002995
2020.02.21
Tobias Schulze, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany
CC0
Copyright (C) 2020 by Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany
294.1831
LTQ Orbitrap XL Thermo Scientific
LC-ESI-ITFT
MS2
ESI
HCD
40% (nominal)
15000
Kinetex Evo C18 2.6 um 50 x 2.1 mm
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5/0 at 32 min
300 uL/min
11.616 min
water with 0.1% formic acid
methanol with 0.1% formic acid
loess on assigned fragments and MS1
positive
2.103406656370979
0.9134979040604855
295.1904
[M+H]+
2.3012672498441193 ppm
-6.793119999883857E-4 Da