vanillin; 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: ML005951

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

Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML005951
Synonyms: vanillin, 4-hydroxy-3-methoxybenzaldehyde
Total mass: 152.147
Formula: H8 C8 O3

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: 108.0218, 109.0297,
Processing time: 0:00:00.746811

Results for the quried mass "136.0166"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O3	0.088	4	0	C1,C3,C4,C5,C6,C7,C8,O9,O10,O11
C7O3	0.088	4	0	C1,C2,C4,C5,C6,C7,C8,O9,O10,O11
C7O3	0.088	4	0	C1,C2,C3,C5,C6,C7,C8,O9,O10,O11
C7O3	0.088	4	0	C2,C3,C4,C5,C6,C7,C8,O9,O10,O11
C8O2	0.131	8	0	C1,C2,C3,C4,C5,C6,C7,C8,O10,O11
C8O2	0.131	8	1	C1,C2,C3,C4,C5,C6,C7,C8,O9,O11