Related entries (identical compound): KO001183 KO001184 KO001185 KO001186 KO001187 PR100773

Submission id: KO001185

Outputs for Itaconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001185
Synonyms: Itaconate, Itaconic acid, Methylenesuccinic acid
Total mass: 130.0985
Formula: H6 C5 O4

Structure file (with ALATIS unique atom labels)

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: 45.6, 85.1,
Processing time: 0:00:01.620159
Queried mass list: ['41.200', '45.200', '58.800', '72.700', '78.700', '81.000', '83.300']

Queried mass	Num. matched formulas	Num. matched fragments
41.2 (link to fragments)	1	4
45.2 (link to fragments)	1	2
58.8 (link to fragments)	2	2
72.7 (link to fragments)	1	1
78.7 (link to fragments)	1	2
81.0 (link to fragments)	1	1
83.3 (link to fragments)	1	1