adipic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: ML002451

Outputs for adipic acid; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-

Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML002451
Synonyms: adipic acid, hexanedioate;hydron
Total mass: 146.1408
Formula: H10 C6 O4

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap Velos Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 83.0502,
Processing time: 0:00:01.070316

Results for the quried mass "127.04"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O3	0.078	7	0	C1,C2,C3,C4,C5,C6,O8,O9,O10
C6O3	0.078	7	0	C1,C2,C3,C4,C5,C6,O7,O9,O10
C6O3	0.078	7	0	C1,C2,C3,C4,C5,C6,O7,O8,O10
C6O3	0.078	7	0	C1,C2,C3,C4,C5,C6,O7,O8,O9