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

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

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: 93.1, 98.7, 129.0,
Processing time: 0:00:02.015254
Queried mass list: ['34.900', '40.900', '45.200', '72.800', '83.100', '85.200', '91.400', '97.100', '111.300', '127.200']

Queried mass	Num. matched formulas	Num. matched fragments
34.9 (link to fragments)	1	3
40.9 (link to fragments)	1	4
45.2 (link to fragments)	1	2
72.8 (link to fragments)	1	1
83.1 (link to fragments)	1	2
85.2 (link to fragments)	1	2
91.4	No match found!	No match found!
97.1	No match found!	No match found!
111.3 (link to fragments)	2	5
127.2 (link to fragments)	1	1