Neostigmine; LC-ESI-IT; MS2; m/z: 223; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO009126

Outputs for Neostigmine; LC-ESI-IT; MS2; m/z: 223; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO009126
Synonyms: Neostigmine, Neostigmine bromide, Neo proserine
Total mass: 223.2907
Formula: H19 C12 O2 N2

Experimental information

MS type: MS2
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: 229.0,
Replicated queried mass peaks: 73.4, 94.0, 107.1, 117.1, 119.1, 121.0, 123.1, 135.1, 136.0, 138.2, 150.1, 152.1, 163.1, 165.2, 166.1, 178.1, 180.2, 181.1, 192.9, 196.1, 207.1, 209.0,
Processing time: 0:00:03.167745

Results for the quried mass "118.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2N1	0.070	0	0	C1,C2,C8,C9,C11,C12,N13,O15,O16
C6O2N1	0.070	0	0	C1,C2,C6,C8,C11,C12,N13,O15,O16
C8N1	0.155	8	0	C3,C4,C5,C6,C7,C8,C9,C10,N14