3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001121

Outputs for 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001121
Synonyms: 3-Hydroxy-3-methylglutarate, Dicrotalic acid, 3-Hydorxy-3-methylglutaric acid, 3-Hydroxy-3-methylpentanedioic acid, Meglutol, beta-Hydroxy-beta-methylglutaric acid, 3-Hydroxy-3-methylglutaric acid
Total mass: 162.1402
Formula: H10 C6 O5

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: 59.1, 103.0, 118.6,
Processing time: 0:00:02.741808

Results for the quried mass "117.6"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O3	0.477	9	0	C1,C2,C3,C5,C6,O9,O10,O11
C5O3	0.477	9	0	C1,C2,C3,C4,C6,O7,O8,O11