4-Fluorobenzoylpropionic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: SM854306

Outputs for 4-Fluorobenzoylpropionic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM854306
Synonyms: 4-Fluorobenzoylpropionic acid, 3-(4-Fluorobenzoyl)propionic acid, 4-(4-fluorophenyl)-4-oxobutanoic acid
Total mass: 196.1747
Formula: H9 C10 O3 F1

Experimental information

MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 69.0699, 81.0699, 85.0283, 85.0648, 95.0293, 95.0491, 99.0441, 105.0699, 109.0648, 111.044, 113.0597, 115.0541, 121.0646, 123.0241, 135.0605,
Processing time: 0:00:03.115045

Results for the quried mass "109.0448"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O3	0.015	1	0	C5,C6,C7,C9,C10,O12,O13,O14