4-Fluoraniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: SM805401

Outputs for 4-Fluoraniline; 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: SM805401
Synonyms: 4-Fluoraniline
Total mass: 111.1167
Formula: H6 C6 N1 F1

Experimental information

MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 123.0353,
Replicated queried mass peaks: 51.0231, 112.0556,
Processing time: 0:00:01.497418

Results for the quried mass "85.0448"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5F1	0.055	6	2	C1,C2,C3,C4,C5,F7
C6N1	0.018	1	0	C1,C2,C3,C4,C5,C6,N8
C4N1F1	0.035	4	0	C2,C4,C5,C6,F7,N8
C4N1F1	0.035	4	0	C1,C3,C5,C6,F7,N8