2,4,6-Trichlorphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: SM813751

Outputs for 2,4,6-Trichlorphenol; 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: SM813751
Synonyms: 2,4,6-Trichlorphenol
Total mass: 197.4463
Formula: H3 C6 O1 Cl3

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: 0:00:00.736016

Results for the quried mass "158.9412"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O1Cl2	0.028	0	0	C1,C2,C3,C4,C5,C6,Cl8,Cl9,O10
C6O1Cl2	0.028	0	0	C1,C2,C3,C4,C5,C6,Cl7,Cl9,O10
C6O1Cl2	0.028	0	0	C1,C2,C3,C4,C5,C6,Cl7,Cl8,O10