4-CPA; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KO000533

Outputs for 4-CPA; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000533
Synonyms: p-Chlorophenoxyacetate, 4-CPA, 4-Chlorophenoxyacetate
Total mass: 186.5921
Formula: H7 C8 O3 Cl1

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 44.9, 59.0, 75.0,
Processing time: 0:00:02.520875

Results for the quried mass "126.9"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O3	0.218	7	1	C2,C3,C4,C5,C7,C8,O10,O11,O12
C6O3	0.218	7	1	C1,C3,C4,C5,C7,C8,O10,O11,O12
C6O1Cl1	0.360	3	0	C1,C2,C3,C4,C6,C7,Cl9,O12