Itaconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001183

Outputs for Itaconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001183
Synonyms: Itaconate, Itaconic acid, Methylenesuccinic acid
Total mass: 130.0985
Formula: H6 C5 O4

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 93.1, 98.7, 129.0,
Processing time: 0:00:02.015254

Results for the quried mass "83.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O2	0.035	3	0	C1,C2,C3,C5,O8,O9
C4O2	0.035	3	0	C1,C2,C3,C4,O6,O7