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: SM854355

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: SM854355
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.779680

Results for the quried mass "149.0407"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C9O1F1	0.101	6	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,F11,O12
C8O3	0.083	5	0	C1,C2,C4,C5,C6,C7,C9,C10,O12,O13,O14
C8O3	0.083	5	0	C1,C2,C3,C5,C6,C7,C9,C10,O12,O13,O14