NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
Home
Processed databases
Atom-Mass pairs
Related entries (identical compound): PR100380 OUF00048 PR100830 GLS00153 KO001124 KO001122 KO001123 KO001120 KO001121
Submission id: KO001120

Outputs for 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001120
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

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: 58.8, 100.8,
Processing time: 0:00:02.307037
Queried mass list: ['57.500', '81.500', '92.600', '99.000', '103.200', '114.900', '117.300', '125.000', '143.400', '161.100']



Queried massNum. matched formulasNum. matched fragments
57.5 (link to fragments) 2 3
81.5 (link to fragments) 2 15
92.6 (link to fragments) 1 10
99.0 (link to fragments) 1 2
103.2 (link to fragments) 1 2
114.9 (link to fragments) 1 2
117.3 (link to fragments) 1 2
125.0 No match found! No match found!
143.4 (link to fragments) 2 6
161.1 (link to fragments) 1 1


Flag Counter