Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA065205

Outputs for Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA065205
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: 79.0177, 93.0573, 94.065, 109.0283, 109.0519, 110.0601,
Processing time: 0:00:01.872256

Results for the quried mass "156.0115"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5S1O3N1	0.128	2	0	C2,C3,C4,C5,C6,N7,O8,O9,O10,S11
C5S1O3N1	0.128	2	0	C1,C3,C4,C5,C6,N7,O8,O9,O10,S11
C5S1O3N1	0.128	2	0	C1,C2,C4,C5,C6,N7,O8,O9,O10,S11
C5S1O3N1	0.128	2	0	C1,C2,C3,C5,C6,N7,O8,O9,O10,S11
C6S1O2N1	0.171	6	0	C1,C2,C3,C4,C5,C6,N7,O9,O10,S11
C6S1O2N1	0.171	6	0	C1,C2,C3,C4,C5,C6,N7,O8,O10,S11
C6S1O2N1	0.171	6	0	C1,C2,C3,C4,C5,C6,N7,O8,O9,S11
C6S1O3	0.147	4	0	C1,C2,C3,C4,C5,C6,O8,O9,O10,S11