MassBank Record: MSBNK-RIKEN_NPDepo-NGA00961
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00961
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids
CH$NAME: Cycloheximide
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H23NO4
CH$EXACT_MASS: 281.162708
CH$SMILES: C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
CH$IUPAC: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
CH$LINK: CAS
66-81-9
CH$LINK: CHEBI
27641
CH$LINK: CHEMSPIDER
5962
CH$LINK: COMPTOX
DTXSID6024882
CH$LINK: INCHIKEY
YPHMISFOHDHNIV-FSZOTQKASA-N
CH$LINK: KEGG
C06685
CH$LINK: PUBCHEM
CID:6197
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-1910000000-139a952d09bafc4f9f5e
PK$NUM_PEAK: 587
PK$PEAK: m/z int. rel.int.
54.5 2.3 2
54.6 4.01 4
54.7 6.13 6
54.8 8.22 8
54.9 10.05 10
55.0 11.24 11
55.1 11.21 11
55.2 9.76 9
55.3 7.22 7
55.4 4.27 4
66.6 2.5 2
66.7 3.97 3
66.8 5.19 5
66.9 6.17 6
67.0 7.18 7
67.1 7.95 7
67.2 7.79 7
67.3 6.5 6
67.4 4.56 4
67.5 2.6 2
68.5 2.25 2
68.6 3.7 3
68.7 5.98 5
68.8 9.76 9
68.9 14.35 14
69.0 17.57 17
69.1 17.88 17
69.2 15.8 15
69.3 12.4 12
69.4 8.11 8
69.5 3.65 3
78.5 2.26 2
78.6 3.85 3
78.7 6.37 6
78.8 9.51 9
78.9 12.52 12
79.0 14.55 14
79.1 15.2 15
79.2 14.43 14
79.3 11.93 11
79.4 7.75 7
79.5 3.32 3
80.5 3.14 3
80.6 3.83 3
80.7 6.14 6
80.8 10.58 10
80.9 15.31 15
81.0 18.05 18
81.1 18.48 18
81.2 17.35 17
81.3 14.54 14
81.4 9.8 9
81.5 4.54 4
82.8 3.3 3
82.9 4.88 4
83.0 6.55 6
83.1 8.09 8
83.2 9.0 8
83.3 8.27 8
83.4 5.63 5
83.5 2.45 2
90.6 2.93 2
90.7 4.51 4
90.8 7.65 7
90.9 11.44 11
91.0 13.82 13
91.1 13.48 13
91.2 10.93 10
91.3 7.57 7
91.4 4.33 4
92.4 1.31 1
92.5 2.66 2
92.6 5.37 5
92.7 9.26 9
92.8 13.25 13
92.9 16.14 16
93.0 17.39 17
93.1 17.55 17
93.2 17.32 17
93.3 15.94 15
93.4 12.05 12
93.5 6.39 6
93.6 1.81 1
94.4 3.32 3
94.5 6.05 6
94.6 10.93 10
94.7 17.4 17
94.8 23.9 23
94.9 29.73 29
95.0 35.42 35
95.1 40.61 40
95.2 42.84 42
95.3 39.37 39
95.4 29.89 29
95.5 17.5 17
95.6 7.17 7
96.7 3.8 3
96.8 5.01 5
96.9 6.56 6
97.0 8.17 8
97.1 9.21 9
97.2 9.11 9
97.3 7.64 7
97.4 5.05 5
97.5 2.26 2
104.6 2.27 2
104.7 5.31 5
104.8 10.57 10
104.9 16.28 16
105.0 20.41 20
105.1 22.09 22
105.2 21.0 20
105.3 16.91 16
105.4 10.65 10
105.5 4.57 4
106.2 1.66 1
106.3 3.36 3
106.4 5.52 5
106.5 8.12 8
106.6 12.69 12
106.7 21.83 21
106.8 36.59 36
106.9 54.02 53
107.0 68.12 68
107.1 74.32 74
107.2 72.1 72
107.3 62.68 62
107.4 46.8 46
107.5 26.99 26
107.6 9.49 9
107.7 0.41 0
108.7 3.05 3
108.8 5.03 5
108.9 7.47 7
109.0 9.26 9
109.1 10.1 10
109.2 10.55 10
109.3 10.46 10
109.4 8.88 8
109.5 5.75 5
111.7 1.99 1
111.8 3.91 3
111.9 5.84 5
112.0 6.92 6
112.1 6.86 6
112.2 6.0 5
112.3 4.71 4
112.4 3.16 3
116.5 0.9 0
116.6 2.48 2
116.7 6.49 6
116.8 11.86 11
116.9 16.44 16
117.0 18.55 18
117.1 18.08 18
117.2 15.79 15
117.3 12.21 12
117.4 7.79 7
117.5 3.52 3
118.5 2.19 2
118.6 3.88 3
118.7 8.36 8
118.8 15.52 15
118.9 23.79 23
119.0 30.54 30
119.1 33.45 33
119.2 32.13 32
119.3 27.69 27
119.4 20.84 20
119.5 12.26 12
119.6 4.33 4
120.2 2.02 2
120.3 3.56 3
120.4 6.01 6
120.5 8.85 8
120.6 13.59 13
120.7 22.5 22
120.8 35.08 35
120.9 47.36 47
121.0 55.61 55
121.1 58.83 58
121.2 56.9 56
121.3 48.34 48
121.4 32.87 32
121.5 15.15 15
121.6 2.71 2
122.4 3.97 3
122.5 5.68 5
122.6 8.92 8
122.7 14.28 14
122.8 21.4 21
122.9 28.43 28
123.0 33.09 33
123.1 34.43 34
123.2 32.83 32
123.3 28.4 28
123.4 20.95 20
123.5 11.88 11
123.6 4.27 4
124.5 5.08 5
124.6 6.0 5
124.7 8.48 8
124.8 13.02 13
124.9 18.16 18
125.0 21.49 21
125.1 22.27 22
125.2 21.95 21
125.3 21.34 21
125.4 18.66 18
125.5 12.57 12
125.6 5.45 5
128.6 2.07 2
128.7 3.7 3
128.8 5.77 5
128.9 7.3 7
129.0 7.67 7
129.1 7.26 7
129.2 6.72 6
129.3 6.0 5
129.4 4.66 4
130.4 2.63 2
130.5 3.98 3
130.6 6.23 6
130.7 9.73 9
130.8 13.95 13
130.9 17.67 17
131.0 20.27 20
131.1 22.22 22
131.2 23.5 23
131.3 22.21 22
131.4 16.68 16
131.5 8.63 8
131.6 2.21 2
132.4 1.85 1
132.5 3.26 3
132.6 4.8 4
132.7 6.91 6
132.8 10.19 10
132.9 14.02 14
133.0 16.76 16
133.1 17.4 17
133.2 16.12 16
133.3 13.24 13
133.4 9.02 9
133.5 4.62 4
134.6 1.35 1
134.7 3.67 3
134.8 7.65 7
134.9 12.13 12
135.0 16.12 16
135.1 18.83 18
135.2 18.93 18
135.3 15.39 15
135.4 9.26 9
135.5 3.57 3
137.6 2.83 2
137.7 5.84 5
137.8 10.86 10
137.9 16.61 16
138.0 21.14 21
138.1 22.19 22
138.2 18.86 18
138.3 12.8 12
138.4 6.87 6
138.5 2.83 2
140.8 3.63 3
140.9 5.19 5
141.0 6.63 6
141.1 7.52 7
141.2 7.22 7
141.3 5.48 5
141.7 2.49 2
141.8 4.61 4
141.9 6.72 6
142.0 8.23 8
142.1 9.03 9
142.2 9.26 9
142.3 8.87 8
142.4 7.68 7
142.5 6.13 6
142.6 6.27 6
142.7 10.76 10
142.8 20.1 20
142.9 30.97 30
143.0 38.71 38
143.1 41.45 41
143.2 40.07 40
143.3 34.78 34
143.4 24.96 24
143.5 12.87 12
143.6 3.8 3
144.6 6.62 6
144.7 9.52 9
144.8 14.78 14
144.9 21.83 21
145.0 28.38 28
145.1 32.11 32
145.2 32.11 32
145.3 28.42 28
145.4 21.46 21
145.5 12.81 12
145.6 5.29 5
145.7 1.26 1
146.6 3.17 3
146.7 4.54 4
146.8 7.35 7
146.9 10.72 10
147.0 12.98 12
147.1 13.28 13
147.2 12.01 11
147.3 9.7 9
147.4 6.51 6
147.5 2.99 2
148.6 2.22 2
148.7 3.97 3
148.8 7.29 7
148.9 11.39 11
149.0 14.79 14
149.1 16.38 16
149.2 15.56 15
149.3 12.04 12
149.4 6.79 6
152.7 2.43 2
152.8 4.64 4
152.9 6.67 6
153.0 7.28 7
153.1 6.57 6
153.2 5.35 5
153.3 3.87 3
154.6 2.26 2
154.7 4.3 4
154.8 6.17 6
154.9 6.99 6
155.0 6.71 6
155.1 6.16 6
155.2 5.93 5
155.3 5.57 5
155.4 4.29 4
155.5 2.28 2
156.3 2.25 2
156.4 3.63 3
156.5 5.44 5
156.6 8.67 8
156.7 14.9 14
156.8 24.51 24
156.9 35.62 35
157.0 44.95 44
157.1 49.55 49
157.2 48.14 48
157.3 40.94 40
157.4 29.31 29
157.5 16.08 16
157.6 5.57 5
158.2 4.02 4
158.3 5.98 5
158.4 9.05 9
158.5 12.38 12
158.6 17.37 17
158.7 28.56 28
158.8 49.4 49
158.9 75.37 75
159.0 94.67 94
159.1 100.0 99
159.2 95.99 95
159.3 89.24 89
159.4 76.47 76
159.5 51.96 51
159.6 22.03 22
159.7 1.62 1
160.6 1.62 1
160.7 4.19 4
160.8 8.71 8
160.9 14.13 14
161.0 18.75 18
161.1 21.3 21
161.2 21.14 21
161.3 17.85 17
161.4 11.83 11
161.5 5.26 5
162.6 2.78 2
162.7 5.6 5
162.8 9.64 9
162.9 13.26 13
163.0 15.14 15
163.1 15.77 15
163.2 16.71 16
163.3 17.73 17
163.4 16.24 16
163.5 10.87 10
163.6 4.2 4
167.6 2.5 2
167.7 4.17 4
167.8 6.29 6
167.9 8.16 8
168.0 9.33 9
168.1 9.58 9
168.2 8.89 8
168.6 6.04 6
168.7 9.29 9
168.8 14.81 14
168.9 21.0 20
169.0 26.07 26
169.1 29.11 29
169.2 30.02 29
169.3 28.48 28
169.4 23.55 23
169.5 15.52 15
169.6 7.45 7
171.8 1.26 1
171.9 3.0 2
172.0 4.58 4
172.1 5.24 5
172.2 5.35 5
172.3 5.88 5
172.4 6.86 6
172.5 7.48 7
172.6 8.11 8
172.7 11.19 11
172.8 19.14 19
172.9 31.32 31
173.0 43.11 43
173.1 49.38 49
173.2 48.87 48
173.3 43.46 43
173.4 34.12 34
173.5 21.23 21
173.6 8.1 8
173.7 0.22 0
174.8 3.78 3
174.9 5.1 5
175.0 6.95 6
175.1 8.76 8
175.2 9.81 9
175.3 9.62 9
175.4 8.02 8
175.5 5.36 5
176.5 4.07 4
176.6 5.48 5
176.7 8.7 8
176.8 14.44 14
176.9 21.99 21
177.0 29.61 29
177.1 36.15 36
177.2 40.65 40
177.3 40.57 40
177.4 33.23 33
177.5 20.06 20
177.6 7.17 7
182.4 2.53 2
182.5 3.57 3
182.6 5.52 5
182.7 10.33 10
182.8 18.67 18
182.9 28.07 28
183.0 34.71 34
183.1 37.14 37
183.2 36.71 36
183.3 34.21 34
183.4 28.13 28
183.5 17.88 17
183.6 6.93 6
183.7 0.67 0
184.5 3.77 3
184.6 5.62 5
184.7 9.35 9
184.8 14.31 14
184.9 18.89 18
185.0 21.69 21
185.1 22.8 22
185.2 23.41 23
185.3 23.45 23
185.4 20.8 20
185.5 14.26 14
185.6 6.42 6
185.9 2.66 2
186.0 4.6 4
186.1 6.06 6
186.2 7.33 7
186.3 8.65 8
186.4 9.64 9
186.5 9.73 9
186.6 10.51 10
186.7 16.58 16
186.8 30.95 30
186.9 49.63 49
187.0 63.89 63
187.1 68.57 68
187.2 65.28 65
187.3 56.9 56
187.4 43.4 43
187.5 25.61 25
187.6 8.97 8
187.7 0.22 0
190.8 2.75 2
190.9 5.0 4
191.0 6.75 6
191.1 7.38 7
191.2 7.0 6
191.3 5.88 5
191.4 4.24 4
200.6 4.98 4
200.7 8.17 8
200.8 15.67 15
200.9 26.96 26
201.0 38.17 38
201.1 44.8 44
201.2 45.52 45
201.3 41.61 41
201.4 33.56 33
201.5 21.55 21
201.6 8.81 8
201.7 0.73 0
202.7 1.73 1
202.8 3.14 3
202.9 4.67 4
203.0 5.7 5
203.1 5.73 5
203.2 4.98 4
203.3 4.0 3
203.8 1.26 1
203.9 3.35 3
204.0 5.33 5
204.1 5.91 5
204.2 4.97 4
204.3 3.71 3
204.4 3.15 3
204.5 3.22 3
204.6 3.7 3
204.7 5.47 5
204.8 9.72 9
204.9 16.04 16
205.0 22.21 22
205.1 25.98 25
205.2 26.31 26
205.3 22.99 22
205.4 16.43 16
205.5 8.53 8
205.6 2.26 2
210.7 1.13 1
210.8 2.87 2
210.9 5.07 5
211.0 6.88 6
211.1 7.83 7
211.2 8.03 8
211.3 7.45 7
211.4 5.74 5
211.5 3.15 3
218.8 4.39 4
218.9 6.42 6
219.0 8.55 8
219.1 10.38 10
219.2 11.55 11
219.3 11.41 11
219.4 9.38 9
219.5 5.85 5
219.6 2.39 2
228.6 1.26 1
228.7 2.99 2
228.8 8.77 8
228.9 17.55 17
229.0 25.56 25
229.1 29.25 29
229.2 28.47 28
229.3 25.05 25
229.4 19.55 19
229.5 11.95 11
229.6 4.33 4
245.5 0.74 0
245.6 2.12 2
245.7 5.3 5
245.8 9.06 9
245.9 11.91 11
246.0 13.51 13
246.1 14.37 14
246.2 14.52 14
246.3 13.5 13
246.4 11.11 11
246.7 6.13 6
246.8 9.22 9
246.9 13.42 13
247.0 16.79 16
247.1 18.68 18
247.2 19.31 19
247.3 18.32 18
247.4 14.74 14
247.5 8.85 8
247.6 3.04 3
//