Clofibric acid; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA020456

Outputs for Clofibric acid; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA020456
Synonyms: Clofibric acid, 2-(p-Chlorophenoxy)isobutyric acid, 2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Total mass: 214.6451
Formula: H11 C10 O3 Cl1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
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: 0:00:00.392100

Results for the quried mass "126.9957"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O3	0.122	7	0	C1,C2,C5,C8,C9,C10,O12,O13,O14
C6O3	0.122	7	0	C1,C2,C6,C8,C9,C10,O12,O13,O14
C6O1Cl1	0.455	3	0	C3,C4,C5,C6,C7,C8,Cl11,O14