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

Submission id: KO003619

Outputs for Neostigmine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003619
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: 56.0, 88.0, 89.0, 90.7, 91.8, 95.0, 99.0, 105.0, 108.2, 110.3, 115.9, 116.9, 118.0, 119.0, 120.8, 123.2, 133.0, 135.2, 136.1, 137.8, 138.6, 146.4, 150.1, 151.3, 152.8, 164.3, 165.3, 179.1, 180.0, 193.3, 208.2,
Processing time: 0:00:03.599616
Queried mass list: ['44.400', '55.400', '58.300', '66.800', '69.800', '72.000', '80.900', '84.900', '87.000', '90.300', '93.300', '98.600', '100.900', '104.100', '106.900', '109.100', '115.100', '117.400', '119.900', '122.300', '131.900', '134.200', '137.200', '146.000', '149.300', '152.300', '163.300', '166.300', '178.300', '180.800', '191.500', '207.200', '223.400']

Queried mass	Num. matched formulas	Num. matched fragments
44.4 (link to fragments)	2	5
55.4 (link to fragments)	3	8
58.3 (link to fragments)	3	11
66.8 (link to fragments)	4	16
69.8 (link to fragments)	3	7
72.0 (link to fragments)	3	6
80.9 (link to fragments)	4	21
84.9 (link to fragments)	2	3
87.0 (link to fragments)	3	8
90.3 (link to fragments)	5	25
93.3 (link to fragments)	5	24
98.6 (link to fragments)	5	9
100.9 (link to fragments)	4	18
104.1 (link to fragments)	6	28
106.9 (link to fragments)	6	28
109.1 (link to fragments)	7	17
115.1 (link to fragments)	5	13
117.4 (link to fragments)	2	3
119.9 (link to fragments)	2	3
122.3 (link to fragments)	3	4
131.9 (link to fragments)	2	3
134.2 (link to fragments)	2	3
137.2 (link to fragments)	3	4
146.0 (link to fragments)	2	2
149.3 (link to fragments)	2	2
152.3 (link to fragments)	3	3
163.3 (link to fragments)	1	1
166.3 (link to fragments)	2	2
178.3 (link to fragments)	3	4
180.8 (link to fragments)	3	4
191.5 (link to fragments)	3	12
207.2 (link to fragments)	3	11
223.4 (link to fragments)	1	1