Spectrum BML01359 for Coumarin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
C9H6O2
146.036779432
O=C1OC=2C=CC=CC2C=C1

Mass Spectral Metadata

NameValue
BML01359
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 0.654
146.036779
Agilent 1200 RRLC; Agilent 6520 QTOF
LC-ESI-QTOF
MS2
20 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
4.819
water with 0.2% acetic acid
methanol with 0.2% acetic acid
positive
0.6420044323158003
0.5843776179621358
147.0441
[M+H]+
4.416579788085437 ppm
-6.494320000172138E-4 Da