4,4`-Thiodiphenol; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: SM804853

Outputs for 4,4`-Thiodiphenol; 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: SM804853
Synonyms: 4,4`-Thiodiphenol, 4-(4-hydroxyphenyl)sulfanylphenol
Total mass: 218.2712
Formula: H10 C12 S1 O2

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: 0:00:01.080096

Results for the quried mass "123.9983"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6S1O1	0.162	4	0	C3,C4,C7,C8,C10,C12,O14,S15
C6S1O1	0.162	4	0	C1,C2,C5,C6,C9,C11,O13,S15