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

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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['70.200', '73.100', '80.900', '83.400', '89.900', '92.100', '107.000', '109.100', '112.100', '119.100', '122.000', '134.100', '137.000', '139.900', '148.100', '150.200', '153.100', '162.100', '165.200', '180.100', '189.200', '193.100', '207.100']

Queried mass	Num. matched formulas	Num. matched fragments
70.2 (link to fragments)	4	8
73.1 (link to fragments)	4	10
80.9 (link to fragments)	4	21
83.4 (link to fragments)	3	7
89.9 (link to fragments)	3	19
92.1 (link to fragments)	6	26
107.0 (link to fragments)	6	24
109.1 (link to fragments)	6	13
112.1 (link to fragments)	4	7
119.1 (link to fragments)	2	3
122.0 (link to fragments)	3	4
134.1 (link to fragments)	2	3
137.0 (link to fragments)	3	4
139.9 (link to fragments)	2	3
148.1 (link to fragments)	2	2
150.2 (link to fragments)	2	2
153.1 (link to fragments)	3	3
162.1 (link to fragments)	1	1
165.2 (link to fragments)	2	2
180.1 (link to fragments)	3	4
189.2 (link to fragments)	2	3
193.1 (link to fragments)	3	12
207.1 (link to fragments)	3	11