Spectrum BML00392 for Nordihydroguaiaretic acid

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
HCZKYJDFEPMADG-UHFFFAOYSA-N
C18H22O4
302.151809184
OC1=CC=C(C=C1O)CC(C)C(C)CC2=CC=C(O)C(O)=C2

Mass Spectral Metadata

NameValue
BML00392
2016.01.19 (Created 2012.10.26)
Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
CC BY-SA
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.074
302.151809
Agilent 1200 RRLC; Agilent 6520 QTOF
LC-ESI-QTOF
MS2
40 ev
N2
m/z 100-1000
Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
60 C
linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
0.6 ml/min
7.905
water with 0.2% acetic acid
methanol with 0.2% acetic acid
negative
1.6917665481754742
0.6101758023486491
301.1445
[M-H]-
0.11019294729663788 ppm
-3.3184000017172366E-5 Da