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

Submission id: KO001184

Outputs for Itaconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001184
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: 85.1,
Processing time: 0:00:01.853084
Queried mass list: ['36.700', '41.100', '45.400', '56.800', '59.200', '73.100', '80.900', '83.200', '87.300', '90.700', '96.900', '111.400', '129.100']

Queried mass	Num. matched formulas	Num. matched fragments
36.7 (link to fragments)	1	3
41.1 (link to fragments)	1	4
45.4 (link to fragments)	1	2
56.8 (link to fragments)	2	5
59.2 (link to fragments)	2	2
73.1	No match found!	No match found!
80.9 (link to fragments)	1	2
83.2 (link to fragments)	1	2
87.3	No match found!	No match found!
90.7	No match found!	No match found!
96.9	No match found!	No match found!
111.4 (link to fragments)	2	5
129.1 (link to fragments)	1	1