MassBank Record: MSBNK-RIKEN_NPDepo-NGA03856
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03856
RECORD_TITLE: Deltaline; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Delphinium alkaloid
CH$NAME: Deltaline
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C27H41NO8
CH$EXACT_MASS: 507.6297
CH$SMILES: CCN1C[C@]2(C)CCC(OC)C34C2[C@H](OC(C)=O)C2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@]3(O)C5[C@H]2OC)[C@@H]14
CH$IUPAC: InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17?,18+,19?,20?,21+,22+,23+,24+,25-,26?,27?/m1/s1
CH$LINK: CAS
6836-11-9
CH$LINK: CHEMSPIDER
145078 390331 4475551 23219130
CH$LINK: INCHIKEY
DTTPWCNKTMQMTE-ZRAURUGBSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-
PK$SPLASH: splash10-0f7d-4988880000-86b5a8f49f06a6a748fc
PK$NUM_PEAK: 4269
PK$PEAK: m/z int. rel.int.
50.9 10.26 10
51.0 19.1 19
51.1 23.86 23
51.2 20.15 20
51.3 11.69 11
51.5 8.28 8
51.6 15.89 15
51.7 22.04 22
51.8 21.09 21
51.9 13.72 13
52.1 4.11 4
52.2 9.33 9
52.3 17.75 17
52.4 23.28 23
52.5 22.42 22
52.6 16.66 16
52.8 11.36 11
52.9 16.84 16
53.0 23.49 23
53.1 25.36 25
53.2 20.11 20
54.0 6.86 6
54.1 11.34 11
54.2 19.24 19
54.3 23.68 23
54.4 20.46 20
54.5 11.69 11
54.7 5.78 5
54.8 14.6 14
54.9 23.84 23
55.0 26.24 26
55.1 20.99 20
56.0 8.28 8
56.1 16.24 16
56.2 23.68 23
56.3 24.87 24
56.4 18.89 18
57.3 11.57 11
57.4 16.75 16
57.5 19.78 19
57.6 18.29 18
57.7 13.11 13
57.9 7.42 7
58.0 12.76 12
58.1 19.9 19
58.2 22.56 22
58.3 18.43 18
58.5 9.54 9
58.6 14.18 14
58.7 21.51 21
58.8 24.61 24
58.9 20.29 20
59.0 11.78 11
59.2 8.77 8
59.3 18.08 18
59.4 26.31 26
59.5 25.96 25
59.6 17.17 17
59.8 6.16 6
59.9 12.88 12
60.0 21.53 21
60.1 24.73 24
60.2 20.64 20
60.3 13.83 13
60.5 12.83 12
60.6 18.36 18
60.7 21.32 21
60.8 18.38 18
60.9 11.94 11
61.1 10.31 10
61.2 16.61 16
61.3 21.93 21
61.4 22.58 22
61.5 18.38 18
61.7 10.45 10
61.8 14.02 14
61.9 20.6 20
62.0 23.96 23
62.1 20.55 20
62.2 13.32 13
62.4 12.01 11
62.5 18.99 18
62.6 23.3 23
62.7 20.9 20
62.8 14.25 14
63.0 10.78 10
63.1 16.45 16
63.2 21.04 21
63.3 19.83 19
63.4 12.81 12
63.6 3.62 3
63.7 9.59 9
63.8 19.38 19
63.9 25.94 25
64.0 23.91 23
64.1 14.42 14
64.3 5.55 5
64.4 15.05 15
64.5 25.05 25
64.6 26.2 26
64.7 17.7 17
64.9 4.85 4
65.0 11.52 11
65.1 21.65 21
65.2 26.85 26
65.3 23.4 23
65.4 14.95 14
65.6 9.68 9
65.7 16.49 16
65.8 22.77 22
65.9 22.42 22
66.0 15.7 15
66.2 11.08 11
66.3 18.89 18
66.4 25.8 25
66.5 25.36 25
66.6 17.98 17
66.8 6.58 6
66.9 11.69 11
67.0 21.02 20
67.1 26.78 26
67.2 23.51 23
67.3 13.58 13
67.5 6.67 6
67.6 15.19 15
67.7 23.75 23
67.8 25.33 25
67.9 18.85 18
68.0 9.59 9
68.2 8.37 8
68.3 16.49 16
68.4 21.6 21
68.5 18.59 18
68.6 9.84 9
68.8 6.25 6
68.9 16.21 16
69.0 25.19 25
69.1 26.01 25
69.2 18.99 18
69.4 9.94 9
69.5 15.89 15
69.6 22.63 22
69.7 22.86 22
69.8 15.65 15
70.1 7.0 6
70.2 15.26 15
70.3 22.04 22
70.4 22.18 22
70.5 16.17 16
70.7 11.48 11
70.8 18.92 18
70.9 25.78 25
71.0 24.94 24
71.1 16.05 16
71.3 5.18 5
71.4 12.88 12
71.5 22.79 22
71.6 26.38 26
71.7 20.67 20
71.8 10.52 10
72.0 8.42 8
72.1 18.78 18
72.2 26.85 26
72.3 25.61 25
72.4 16.4 16
72.6 7.04 7
72.7 14.42 14
72.8 22.79 22
72.9 24.82 24
73.0 19.15 19
73.3 11.41 11
73.4 19.76 19
73.5 24.73 24
73.6 21.62 21
73.7 13.32 13
73.9 7.67 7
74.0 13.74 13
74.1 19.5 19
74.2 20.04 20
74.3 15.09 15
74.5 8.05 8
74.6 13.27 13
74.7 20.78 20
74.8 24.33 24
74.9 21.23 21
75.0 14.67 14
75.2 12.74 12
75.3 19.2 19
75.4 24.31 24
75.5 22.95 22
75.6 15.68 15
75.8 10.36 10
75.9 18.82 18
76.0 26.55 26
76.1 25.82 25
76.2 17.17 17
76.4 6.62 6
76.5 12.55 12
76.6 20.36 20
76.7 23.35 23
76.8 18.89 18
76.9 10.26 10
77.1 6.2 6
77.2 14.25 14
77.3 21.16 21
77.4 21.16 21
77.5 15.58 15
77.7 9.75 9
77.8 13.09 13
77.9 17.17 17
78.0 18.73 18
78.1 16.49 16
78.3 11.71 11
78.4 15.3 15
78.5 20.71 20
78.6 23.19 23
78.7 20.01 19
78.8 12.92 12
79.0 7.91 7
79.1 15.07 15
79.2 23.35 23
79.3 26.15 26
79.4 21.46 21
79.5 13.74 13
79.7 11.57 11
79.8 16.98 16
79.9 20.36 20
80.0 18.59 18
80.3 12.15 12
80.4 20.29 20
80.5 26.64 26
80.6 25.22 25
80.7 17.4 17
80.9 8.47 8
81.0 12.64 12
81.1 18.57 18
81.2 21.53 21
81.3 19.52 19
81.4 14.77 14
81.6 12.34 12
81.7 16.19 16
81.8 19.62 19
81.9 19.29 19
82.0 14.67 14
82.2 8.21 8
82.3 13.37 13
82.4 20.36 20
82.5 22.11 22
82.6 16.0 15
82.8 3.45 3
82.9 8.63 8
83.0 18.36 18
83.1 24.75 24
83.2 23.33 23
83.3 16.19 16
83.5 8.4 8
83.6 13.41 13
83.7 20.22 20
83.8 23.28 23
83.9 20.32 20
84.1 12.29 12
84.2 16.12 16
84.3 21.93 21
84.4 22.39 22
84.5 15.56 15
84.7 4.9 4
84.8 10.01 9
84.9 18.33 18
85.0 23.91 23
85.1 22.74 22
85.2 15.16 15
85.4 4.15 4
85.5 10.43 10
85.6 20.41 20
85.7 25.75 25
85.8 22.25 22
85.9 13.18 13
86.1 7.65 7
86.2 15.56 15
86.3 23.05 23
86.4 23.54 23
86.5 16.98 16
86.7 8.51 8
86.8 14.58 14
86.9 22.04 22
87.0 23.49 23
87.1 17.24 17
87.3 7.44 7
87.4 12.99 12
87.5 20.43 20
87.6 23.35 23
87.7 20.36 20
88.0 13.76 13
88.1 19.55 19
88.2 24.68 24
88.3 23.86 23
88.4 16.14 16
88.6 4.5 4
88.7 10.43 10
88.8 19.27 19
88.9 23.28 23
89.0 19.9 19
89.2 12.06 12
89.3 16.84 16
89.4 24.0 23
89.5 27.25 27
89.6 23.86 23
89.7 16.42 16
89.9 9.84 9
90.0 14.63 14
90.1 20.18 20
90.2 20.95 20
90.3 15.51 15
90.5 6.32 6
90.6 11.52 11
90.7 20.2 20
90.8 25.54 25
90.9 22.98 22
91.0 14.58 14
91.2 8.75 8
91.3 15.93 15
91.4 22.37 22
91.5 22.35 22
91.6 16.1 16
91.8 8.33 8
91.9 14.44 14
92.0 22.63 22
92.1 25.5 25
92.2 20.22 20
92.3 10.96 10
92.5 8.21 8
92.6 16.4 16
92.7 22.25 22
92.8 20.92 20
92.9 14.51 14
93.1 8.79 8
93.2 13.48 13
93.3 19.5 19
93.4 22.09 22
93.5 18.99 18
93.7 11.85 11
93.8 17.35 17
93.9 25.73 25
94.0 28.67 28
94.1 22.0 21
94.2 10.73 10
94.4 8.09 8
94.5 17.1 17
94.6 23.72 23
94.7 23.93 23
94.8 19.27 19
95.0 13.25 13
95.1 17.45 17
95.2 23.16 23
95.3 24.07 24
95.4 17.47 17
96.3 8.23 8
96.4 18.82 18
96.5 26.03 26
96.6 25.12 25
96.7 18.45 18
97.5 9.45 9
97.6 12.88 12
97.7 20.97 20
97.8 26.94 26
97.9 25.29 25
98.0 17.28 17
98.2 9.66 9
98.3 15.98 15
98.4 22.77 22
98.5 23.56 23
98.6 17.05 17
98.8 4.64 4
98.9 9.68 9
99.0 18.73 18
99.1 23.63 23
99.2 20.34 20
99.5 12.29 12
99.6 21.16 21
99.7 27.87 27
99.8 26.62 26
99.9 17.87 17
100.2 9.49 9
100.3 18.71 18
100.4 24.66 24
100.5 22.63 22
100.6 14.86 14
100.8 10.57 10
100.9 18.33 18
101.0 25.29 25
101.1 25.1 25
101.2 18.08 18
101.4 9.0 8
101.5 14.6 14
101.6 22.11 22
101.7 24.12 24
101.8 17.61 17
102.0 3.38 3
102.1 9.54 9
102.2 20.85 20
102.3 27.53 27
102.4 24.63 24
102.5 16.1 16
102.7 9.52 9
102.8 14.86 14
102.9 20.95 20
103.0 22.95 22
103.1 19.48 19
103.3 12.04 12
103.4 16.03 16
103.5 22.07 22
103.6 23.86 23
103.7 18.78 18
103.8 10.5 10
104.0 8.89 8
104.1 16.52 16
104.2 21.27 21
104.3 17.63 17
104.4 7.79 7
104.6 4.15 4
104.7 16.59 16
104.8 28.13 28
104.9 29.62 29
105.0 20.57 20
105.1 8.93 8
105.3 6.97 6
105.4 15.37 15
105.5 21.11 21
105.6 19.34 19
105.7 11.71 11
105.9 5.78 5
106.0 13.72 13
106.1 22.42 22
106.2 24.87 24
106.3 19.48 19
106.5 7.65 7
106.6 12.32 12
106.7 21.58 21
106.8 26.94 26
106.9 22.84 22
107.0 12.5 12
107.2 7.77 7
107.3 17.63 17
107.4 25.94 25
107.5 25.73 25
107.6 17.91 17
107.8 7.88 7
107.9 13.95 13
108.0 22.7 22
108.1 26.06 26
108.2 20.39 20
108.3 10.36 10
108.5 8.0 7
108.6 16.56 16
108.7 22.81 22
108.8 21.83 21
108.9 15.58 15
109.1 11.97 11
109.2 17.84 17
109.3 22.3 22
109.4 20.46 20
109.5 12.71 12
109.7 1.89 1
109.8 7.6 7
109.9 17.0 16
110.0 22.63 22
110.1 20.97 20
110.2 15.49 15
110.4 13.6 13
110.5 17.24 17
110.6 19.24 19
110.7 17.38 17
110.8 12.32 12
111.0 6.76 6
111.1 11.64 11
111.2 18.43 18
111.3 21.51 21
111.4 18.43 18
111.6 9.61 9
111.7 13.37 13
111.8 21.04 21
111.9 25.89 25
112.0 23.05 23
112.1 14.3 14
112.3 7.37 7
112.4 15.58 15
112.5 24.61 24
112.6 26.66 26
112.7 20.04 20
112.8 10.59 10
113.0 10.05 10
113.1 17.03 17
113.2 20.25 20
113.3 16.7 16
113.5 5.85 5
113.6 9.77 9
113.7 19.41 19
113.8 27.15 27
113.9 26.45 26
114.0 17.87 17
114.2 6.04 6
114.3 11.5 11
114.4 19.85 19
114.5 24.14 24
114.6 21.51 21
114.7 15.28 15
114.9 13.55 13
115.0 19.66 19
115.1 24.12 24
115.2 22.18 22
115.3 14.49 14
115.5 6.46 6
115.6 12.76 12
115.7 20.08 20
115.8 22.25 22
115.9 18.5 18
116.1 11.8 11
116.2 16.03 16
116.3 22.32 22
116.4 23.75 23
116.5 17.33 17
116.8 9.84 9
116.9 18.54 18
117.0 24.03 24
117.1 22.63 22
117.2 15.82 15
117.4 8.21 8
117.5 14.32 14
117.6 22.58 22
117.7 25.96 25
117.8 21.74 21
117.9 13.86 13
118.1 11.48 11
118.2 17.31 17
118.3 20.29 20
118.4 17.1 17
118.7 10.45 10
118.8 17.91 17
118.9 24.52 24
119.0 25.08 25
119.1 18.8 18
119.3 8.3 8
119.4 13.69 13
119.5 21.97 21
119.6 25.54 25
119.7 21.23 21
119.8 12.74 12
120.0 8.09 8
120.1 14.18 14
120.2 19.62 19
120.3 20.13 20
120.4 16.19 16
120.6 11.41 11
120.7 15.89 15
120.8 21.95 21
120.9 23.68 23
121.0 18.29 18
121.2 7.07 7
121.3 13.2 13
121.4 23.26 23
121.5 27.85 27
121.6 22.72 22
121.7 12.48 12
121.9 6.97 6
122.0 14.07 14
122.1 20.48 20
122.2 21.2 21
122.3 16.12 16
122.5 9.14 9
122.6 14.44 14
122.7 21.81 21
122.8 24.63 24
122.9 19.87 19
123.0 11.08 11
123.2 6.53 6
123.3 13.02 13
123.4 18.78 18
123.5 19.1 19
123.6 14.11 14
123.8 8.02 8
123.9 13.95 13
124.0 22.04 22
124.1 25.54 25
124.2 21.46 21
124.3 13.51 13
124.5 10.24 10
124.6 15.58 15
124.7 19.06 19
124.8 17.84 17
125.1 12.25 12
125.2 18.5 18
125.3 24.68 24
125.4 24.91 24
125.5 17.98 17
125.7 6.3 6
125.8 11.06 11
125.9 19.48 19
126.0 24.12 24
126.1 20.53 20
126.2 11.66 11
126.4 8.93 8
126.5 17.61 17
126.6 23.44 23
126.7 21.53 21
126.8 14.93 14
127.0 11.73 11
127.1 17.45 17
127.2 22.7 22
127.3 23.02 22
127.4 17.84 17
127.7 11.2 11
127.8 18.71 18
127.9 24.1 24
128.0 23.02 22
128.1 17.26 17
128.3 14.95 14
128.4 20.92 20
128.5 24.82 24
128.6 22.02 21
128.7 13.46 13
128.9 4.48 4
129.0 11.85 11
129.1 21.06 21
129.2 23.84 23
129.3 17.96 17
129.5 5.85 5
129.6 10.64 10
129.7 19.87 19
129.8 26.5 26
129.9 25.73 25
130.0 18.54 18
130.2 8.75 8
130.3 13.23 13
130.4 19.94 19
130.5 23.07 23
130.6 20.32 20
130.9 13.41 13
131.0 19.99 19
131.1 24.66 24
131.2 22.95 22
131.3 16.26 16
131.5 11.52 11
131.6 17.68 17
131.7 23.19 23
131.8 22.21 22
131.9 15.0 14
132.1 6.9 6
132.2 12.71 12
132.3 20.01 19
132.4 22.88 22
132.5 19.31 19
132.8 11.03 11
132.9 18.89 18
133.0 25.31 25
133.1 24.45 24
133.2 17.12 17
133.4 9.21 9
133.5 15.56 15
133.6 23.26 23
133.7 25.26 25
133.8 19.17 19
133.9 9.68 9
134.1 6.55 6
134.2 13.2 13
134.3 18.12 18
134.4 17.77 17
134.5 13.9 13
134.7 12.08 12
134.8 16.59 16
134.9 20.97 20
135.0 21.3 21
135.1 16.24 16
135.4 9.61 9
135.5 17.77 17
135.6 23.51 23
135.7 22.25 22
135.8 15.63 15
136.0 10.82 10
136.1 17.61 17
136.2 24.05 24
136.3 24.0 23
136.4 17.75 17
137.2 8.68 8
137.3 11.94 11
137.4 17.66 17
137.5 20.74 20
137.6 17.35 17
137.9 8.23 8
138.0 17.66 17
138.1 25.1 25
138.2 24.05 24
138.3 15.35 15
138.5 3.62 3
138.6 8.7 8
138.7 16.59 16
138.8 20.88 20
138.9 18.5 18
139.2 11.36 11
139.3 18.12 18
139.4 22.7 22
139.5 20.9 20
139.6 14.32 14
139.8 9.68 9
139.9 16.12 16
140.0 22.67 22
140.1 23.28 23
140.2 17.12 17
140.4 8.28 8
140.5 13.86 13
140.6 21.83 21
140.7 25.59 25
140.8 22.16 22
140.9 14.25 14
141.1 7.95 7
141.2 14.28 14
141.3 21.46 21
141.4 23.33 23
141.5 18.15 18
141.8 11.38 11
141.9 19.29 19
142.0 24.1 24
142.1 21.76 21
142.2 14.98 14
142.4 13.3 13
142.5 20.13 20
142.6 24.49 24
142.7 22.02 21
142.8 14.35 14
143.0 6.74 6
143.1 12.53 12
143.2 20.25 20
143.3 24.33 24
143.4 22.16 22
143.5 16.05 16
143.7 11.97 11
143.8 17.28 17
143.9 21.51 21
144.0 19.5 19
144.1 11.99 11
144.3 6.02 6
144.4 13.11 13
144.5 20.08 20
144.6 20.5 20
144.7 14.63 14
144.9 8.14 8
145.0 13.44 13
145.1 20.46 20
145.2 24.12 24
145.3 21.51 21
145.4 14.28 14
145.6 9.47 9
145.7 16.63 16
145.8 23.07 23
145.9 22.53 22
146.0 15.58 15
146.2 7.39 7
146.3 12.97 12
146.4 20.64 20
146.5 23.84 23
146.6 19.52 19
146.9 10.89 10
147.0 18.05 18
147.1 22.25 22
147.2 20.08 20
147.3 14.04 14
147.5 11.66 11
147.6 18.45 18
147.7 24.56 24
147.8 24.31 24
147.9 17.0 16
148.2 8.86 8
148.3 17.96 17
148.4 23.33 23
148.5 20.36 20
148.6 12.57 12
148.8 10.71 10
148.9 18.99 18
149.0 25.82 25
149.1 25.64 25
149.2 18.73 18
149.3 10.66 10
149.5 10.05 10
149.6 15.21 15
149.7 17.56 17
149.8 15.05 15
150.0 10.01 9
150.1 15.72 15
150.2 24.1 24
150.3 27.92 27
150.4 23.37 23
150.5 14.16 14
150.7 9.47 9
150.8 15.72 15
150.9 19.97 19
151.0 17.68 17
151.1 10.8 10
151.3 7.93 7
151.4 16.68 16
151.5 26.66 26
151.6 31.3 31
151.7 26.69 26
151.8 15.56 15
152.0 5.76 5
152.1 12.67 12
152.2 18.89 18
152.3 18.24 18
152.6 11.34 11
152.7 19.15 19
152.8 25.82 25
152.9 26.5 26
153.0 21.3 21
153.1 14.02 14
153.3 11.15 11
153.4 16.77 16
153.5 21.13 21
153.6 19.85 19
153.7 13.93 13
153.9 9.38 9
154.0 15.72 15
154.1 22.77 22
154.2 24.1 24
154.3 17.8 17
154.5 6.83 6
154.6 13.11 13
154.7 22.04 22
154.8 25.1 25
154.9 19.9 19
155.2 12.57 12
155.3 19.34 19
155.4 23.23 23
155.5 21.16 21
155.6 14.77 14
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598.9 22.88 22
599.0 25.99 25
599.1 20.41 20
599.4 10.31 10
599.5 19.01 18
599.6 24.63 24
//
system version 2.2.6-SNAPSHOT
