Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA065207

Outputs for Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA065207
Synonyms: Sulfanilic acid, 4-aminobenzenesulfonic acid
Total mass: 173.1894
Formula: H7 C6 S1 O3 N1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 66.0464, 76.0308, 81.0337, 93.0573, 94.065, 109.0286, 109.052, 110.0601,
Processing time: 0:00:01.850503

Results for the quried mass "92.0495"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5S1	0.069	0	0	C1,C2,C4,C5,C6,S11
C5S1	0.069	0	0	C1,C2,C3,C4,C6,S11
C5S1	0.069	0	0	C1,C2,C3,C5,C6,S11
C5S1	0.069	0	0	C1,C3,C4,C5,C6,S11
C5S1	0.069	0	0	C2,C3,C4,C5,C6,S11
C1S1O3	0.024	0	0	O9,O10,S11,C6,O8
C2S1O2	0.067	4	2	C3,C6,O8,O9,S11
C2S1O2	0.067	4	2	C3,C6,O8,O10,S11
C2S1O2	0.067	4	2	C4,C6,O8,O9,S11
C2S1O2	0.067	4	2	C4,C6,O8,O10,S11
C6N1	0.069	6	0	C1,C2,C3,C4,C5,C6,N7