Related entries (identical compound): KO003621 KO003620 KO009126 KO009127 KO009128 KO009129 KO003618 KO003619 KO003617

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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['72.100', '75.700', '79.100', '93.200', '105.100', '108.900', '115.100', '118.000', '120.100', '122.300', '131.700', '134.100', '137.200', '149.000', '151.100', '161.100', '164.100', '177.100', '179.200', '191.100', '195.100', '205.100', '208.100', '223.200']

Queried mass	Num. matched formulas	Num. matched fragments
72.1 (link to fragments)	4	10
75.7 (link to fragments)	3	15
79.1 (link to fragments)	4	22
93.2 (link to fragments)	5	24
105.1 (link to fragments)	6	28
108.9 (link to fragments)	7	17
115.1 (link to fragments)	5	13
118.0 (link to fragments)	2	3
120.1 (link to fragments)	3	4
122.3 (link to fragments)	3	4
131.7 (link to fragments)	2	3
134.1 (link to fragments)	2	3
137.2 (link to fragments)	3	4
149.0 (link to fragments)	2	2
151.1 (link to fragments)	2	2
161.1 (link to fragments)	1	1
164.1 (link to fragments)	2	2
177.1 (link to fragments)	2	2
179.2 (link to fragments)	3	4
191.1 (link to fragments)	3	12
195.1 (link to fragments)	3	12
205.1 (link to fragments)	3	11
208.1 (link to fragments)	3	11
223.2 (link to fragments)	1	1