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

Submission id: KO003621

Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003621
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: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 44.1, 57.1, 58.2, 60.0, 66.8, 68.1, 69.7, 72.1, 77.3, 77.9, 79.8, 81.0, 90.1, 92.0, 94.2, 107.0, 108.2, 110.4, 118.0, 120.1, 122.2, 123.0, 135.2, 137.1, 148.4, 149.1, 151.4, 152.1, 163.2, 208.2,
Processing time: 0:00:03.381404
Queried mass list: ['42.200', '56.200', '59.000', '65.200', '67.700', '70.400', '76.100', '79.200', '88.100', '91.000', '93.100', '95.300', '98.800', '101.100', '103.200', '106.300', '109.100', '116.900', '119.100', '121.300', '128.100', '134.100', '136.200', '147.400', '150.300', '161.400', '164.300', '178.200', '207.500', '223.400']

Queried mass	Num. matched formulas	Num. matched fragments
42.2 (link to fragments)	4	9
56.2 (link to fragments)	3	6
59.0 (link to fragments)	3	11
65.2 (link to fragments)	4	18
67.7 (link to fragments)	3	13
70.4 (link to fragments)	4	8
76.1 (link to fragments)	4	24
79.2 (link to fragments)	4	22
88.1 (link to fragments)	4	21
91.0 (link to fragments)	5	25
93.1 (link to fragments)	5	28
95.3 (link to fragments)	4	10
98.8 (link to fragments)	5	9
101.1 (link to fragments)	4	18
103.2 (link to fragments)	5	26
106.3 (link to fragments)	6	28
109.1 (link to fragments)	7	17
116.9 (link to fragments)	5	13
119.1 (link to fragments)	2	3
121.3 (link to fragments)	3	4
128.1 (link to fragments)	3	5
134.1 (link to fragments)	2	3
136.2 (link to fragments)	3	4
147.4 (link to fragments)	2	2
150.3 (link to fragments)	2	2
161.4 (link to fragments)	1	1
164.3 (link to fragments)	2	2
178.2 (link to fragments)	3	4
207.5 (link to fragments)	3	11
223.4 (link to fragments)	1	1