2-Thiophenecarboxylic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Computational Annotation of MS Peaks (CAMP)

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Submission id: FIO00388

Outputs for 2-Thiophenecarboxylic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00388
Synonyms: 2-Thiophenecarboxylic acid
Total mass: 128.1489
Formula: H4 C5 S1 O2

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 134.0965,
Replicated queried mass peaks: 85.0109, 87.0067, 106.0651, 111.993, 112.9857, 119.073,
Processing time: 0:00:01.205835

Results for the quried mass "82.9955"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4S1	0.136	3	0	C1,C2,C3,C4,S8
C4O2	0.070	3	0	C1,C2,C4,C5,O6,O7