Spectrum PR100930 for Methyl Salicylate

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
OSWPMRLSEDHDFF-UHFFFAOYSA-N
C8H8O3
152.04734411599998
O=C(OC)C=1C=CC=CC1O

Mass Spectral Metadata

NameValue
PR100930
2016.01.19 (Created 2010.06.21, modified 2012.10.22)
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
CC BY-SA
Acquisition and generation of the data is financially supported in part by CREST/JST.
152.04734
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
Ramp 5-60 V
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
120 C
3.0 kV
23.0 V
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
negative
1.4700555857810278
0.8204536440454102
151.03954
[M-H]-
3.4965413692211693 ppm
-5.281159999981355E-4 Da