Neostigmine; LC-ESI-IT; MS3; m/z: 223/208; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO009127

Outputs for Neostigmine; LC-ESI-IT; MS3; m/z: 223/208; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009127
Synonyms: Neostigmine, Neostigmine bromide, Neo proserine
Total mass: 223.2907
Formula: H19 C12 O2 N2

Experimental information

MS type: MS3
Instrument: LC/MSD Trap XCT, Agilent Technologies
Instrument type: LC-ESI-IT
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 261.2,
Replicated queried mass peaks: 71.4, 72.1, 85.2, 91.0, 108.1, 113.0, 120.1, 121.1, 135.1, 136.0, 137.9, 149.1, 151.1, 163.1, 164.1, 166.2, 191.1, 208.1, 209.1,
Processing time: 0:00:02.246276

Results for the quried mass "92.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O1	0.005	4	1	C6,C7,C9,C10,C11,C12,O16
C6O1	0.005	4	0	C6,C7,C8,C9,C10,C11,O16
C6O1	0.005	4	1	C6,C7,C8,C10,C11,C12,O16
C6O1	0.005	4	1	C6,C8,C9,C10,C11,C12,O16
C6O1	0.005	4	0	C6,C7,C8,C9,C11,C12,O16
C6O1	0.005	4	1	C7,C8,C9,C10,C11,C12,O16
C5O2	0.048	0	0	C6,C7,C8,C11,C12,O15,O16
C5O2	0.048	0	0	C6,C8,C9,C11,C12,O15,O16
C5O2	0.048	0	0	C7,C9,C10,C11,C12,O15,O16
C5O2	0.048	0	0	C8,C9,C10,C11,C12,O15,O16
C6N1	0.018	6	2	C6,C7,C8,C9,C10,C11,N14
C4O2N1	0.067	2	0	C6,C8,C11,C12,N13,O15,O16
C4O2N1	0.067	2	0	C8,C9,C11,C12,N13,O15,O16
C4O2N1	0.067	2	1	C9,C10,C11,C12,N14,O15,O16
C4O2N1	0.067	2	1	C9,C10,C11,C12,N13,O15,O16
C4O1N2	0.044	0	0	C9,C10,C11,C12,N13,N14,O16
C5O1N1	0.025	2	0	C6,C7,C8,C11,C12,N13,O16
C5O1N1	0.025	2	0	C6,C7,C9,C10,C11,N14,O16
C5O1N1	0.025	2	0	C6,C7,C8,C10,C11,N14,O16
C5O1N1	0.025	2	0	C6,C8,C9,C10,C11,N14,O16
C5O1N1	0.025	2	0	C6,C8,C9,C11,C12,N13,O16
C5O1N1	0.025	2	0	C7,C9,C10,C11,C12,N13,O16
C5O1N1	0.025	2	0	C7,C9,C10,C11,C12,N14,O16
C5O1N1	0.025	2	0	C7,C8,C9,C10,C11,N14,O16
C5O1N1	0.025	2	0	C8,C9,C10,C11,C12,N13,O16
C5O1N1	0.025	2	0	C8,C9,C10,C11,C12,N14,O16