MassBank Record: MSBNK-RIKEN_NPDepo-NGA03854
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03854
RECORD_TITLE: Deltaline; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-067i-4889880000-3827b2ce5eca897799e7
PK$NUM_PEAK: 4364
PK$PEAK: m/z int. rel.int.
50.5 6.19 6
50.6 10.75 10
50.7 16.48 16
50.8 19.06 19
50.9 17.13 17
51.8 7.36 7
51.9 15.88 15
52.0 24.32 24
52.1 25.51 25
52.2 18.41 18
52.5 8.94 8
52.6 17.9 17
52.7 23.95 23
52.8 22.49 22
52.9 16.01 15
53.1 10.89 10
53.2 15.36 15
53.3 19.69 19
53.4 19.67 19
53.5 14.83 14
53.7 8.73 8
53.8 14.39 14
53.9 21.6 21
54.0 23.72 23
54.1 18.16 18
54.4 7.82 7
54.5 18.41 18
54.6 25.72 25
54.7 22.35 22
54.8 11.48 11
55.0 6.54 6
55.1 16.57 16
55.2 25.19 25
55.3 25.98 25
55.4 19.18 19
55.7 10.27 10
55.8 17.6 17
55.9 21.93 21
56.0 19.2 19
56.1 11.94 11
56.3 8.08 8
56.4 15.71 15
56.5 23.63 23
56.6 25.68 25
56.7 19.9 19
56.8 10.41 10
57.0 6.91 6
57.1 15.36 15
57.2 22.58 22
57.3 22.91 22
57.4 17.46 17
57.6 12.15 12
57.7 16.39 16
57.8 20.14 20
57.9 19.58 19
58.0 15.08 15
58.2 10.13 10
58.3 14.83 14
58.4 21.18 21
58.5 23.56 23
58.6 19.46 19
58.7 12.08 12
58.9 9.36 9
59.0 15.69 15
59.1 20.81 20
59.2 20.2 20
59.3 14.39 14
59.5 8.08 8
59.6 12.55 12
59.7 17.36 17
59.8 18.13 18
60.1 13.48 13
60.2 18.6 18
60.3 23.58 23
60.4 23.3 23
60.5 16.83 16
60.8 9.8 9
60.9 16.74 16
61.0 22.02 21
61.1 22.63 22
61.2 18.53 18
61.3 12.99 12
61.5 12.24 12
61.6 16.57 16
61.7 18.83 18
61.8 16.39 16
62.1 10.29 10
62.2 17.11 17
62.3 22.09 22
62.4 20.6 20
62.5 13.78 13
62.7 8.96 8
62.8 17.25 17
62.9 25.63 25
63.0 26.0 25
63.1 17.43 17
63.3 5.45 5
63.4 11.85 11
63.5 20.93 20
63.6 24.84 24
63.7 20.09 20
63.8 10.24 10
64.0 3.03 3
64.1 8.92 8
64.2 15.08 15
64.3 17.2 17
64.4 15.15 15
64.6 11.52 11
64.7 15.39 15
64.8 20.83 20
64.9 22.65 22
65.0 18.16 18
65.2 7.7 7
65.3 11.85 11
65.4 19.72 19
65.5 23.93 23
65.6 20.83 20
65.7 13.29 13
65.9 7.43 7
66.0 12.59 12
66.1 18.88 18
66.2 21.21 21
66.3 17.34 17
66.6 11.24 11
66.7 17.99 17
66.8 21.6 21
66.9 19.13 19
67.0 13.45 13
67.2 12.01 11
67.3 17.13 17
67.4 20.48 20
67.5 18.95 18
67.6 13.8 13
67.8 8.82 8
67.9 12.94 12
68.0 18.16 18
68.1 20.11 20
68.2 16.78 16
68.4 7.98 7
68.5 11.8 11
68.6 20.0 19
68.7 25.3 25
68.8 21.95 21
68.9 12.29 12
69.1 6.89 6
69.2 15.32 15
69.3 22.37 22
69.4 22.3 22
69.5 16.22 16
69.7 8.03 8
69.8 12.08 12
69.9 18.62 18
70.0 22.51 22
70.1 20.46 20
70.2 13.78 13
70.4 7.87 7
70.5 14.22 14
70.6 21.72 21
70.7 23.95 23
70.8 18.95 18
71.1 10.34 10
71.2 17.57 17
71.3 21.6 21
71.4 18.3 18
71.6 7.12 7
71.7 11.24 11
71.8 20.44 20
71.9 26.61 26
72.0 23.88 23
72.1 14.01 13
72.3 5.61 5
72.4 14.69 14
72.5 24.53 24
72.6 26.65 26
72.7 19.83 19
73.5 8.29 8
73.6 12.85 12
73.7 20.88 20
73.8 26.07 26
73.9 23.95 23
74.0 15.55 15
74.8 5.87 5
74.9 11.24 11
75.0 20.11 20
75.1 25.81 25
75.2 23.93 23
75.3 16.48 16
75.5 10.2 10
75.6 14.2 14
75.7 16.74 16
75.8 14.62 14
76.1 8.1 8
76.2 15.71 15
76.3 23.6 23
76.4 25.65 25
76.5 20.27 20
76.6 11.89 11
76.8 9.33 9
76.9 16.88 16
77.0 23.28 23
77.1 23.04 23
77.2 16.74 16
78.0 9.87 9
78.1 13.66 13
78.2 21.32 21
78.3 25.54 25
78.4 22.23 22
78.5 14.53 14
78.7 9.1 9
78.8 13.78 13
78.9 18.2 18
79.0 18.32 18
79.1 13.76 13
79.3 7.12 7
79.4 12.2 12
79.5 19.93 19
79.6 23.58 23
79.7 19.76 19
79.8 11.59 11
80.0 7.5 7
80.1 14.62 14
80.2 21.88 21
80.3 24.14 24
80.4 20.34 20
80.7 12.97 12
80.8 19.09 19
80.9 22.6 22
81.0 19.48 19
81.2 9.36 9
81.3 13.87 13
81.4 22.37 22
81.5 26.63 26
81.6 21.76 21
81.7 11.22 11
81.9 6.24 6
82.0 15.81 15
82.1 24.28 24
82.2 24.21 24
82.3 15.78 15
82.5 4.66 4
82.6 11.76 11
82.7 21.28 21
82.8 24.74 24
82.9 19.86 19
83.1 9.33 9
83.2 13.8 13
83.3 21.51 21
83.4 25.65 25
83.5 22.3 22
83.6 13.31 13
83.8 4.45 4
83.9 11.59 11
84.0 21.02 20
84.1 25.49 25
84.2 22.56 22
84.3 16.15 16
84.5 14.48 14
84.6 19.86 19
84.7 23.84 23
84.8 22.63 22
84.9 16.69 16
85.1 9.47 9
85.2 13.64 13
85.3 18.65 18
85.4 19.27 19
85.5 14.71 14
85.7 8.1 8
85.8 12.13 12
85.9 17.53 17
86.0 19.46 19
86.1 16.53 16
86.3 11.5 11
86.4 16.32 16
86.5 22.91 22
86.6 24.91 24
86.7 19.65 19
86.8 10.61 10
87.0 7.29 7
87.1 15.92 15
87.2 24.35 24
87.3 26.58 26
87.4 21.53 21
87.5 13.36 13
87.7 10.08 10
87.8 15.9 15
87.9 19.81 19
88.0 17.78 17
88.3 11.13 11
88.4 17.78 17
88.5 22.53 22
88.6 20.81 20
88.7 13.29 13
88.9 3.68 3
89.0 9.64 9
89.1 19.18 19
89.2 24.63 24
89.3 21.3 21
89.4 12.22 12
89.6 6.33 6
89.7 13.41 13
89.8 20.04 20
89.9 20.6 20
90.0 14.64 14
90.2 5.89 5
90.3 12.2 12
90.4 20.9 20
90.5 23.93 23
90.6 18.76 18
90.8 8.01 8
90.9 12.71 12
91.0 20.86 20
91.1 25.68 25
91.2 23.56 23
91.3 16.64 16
91.5 10.5 10
91.6 15.67 15
91.7 21.72 21
91.8 23.6 23
91.9 19.72 19
92.8 12.08 12
92.9 17.71 17
93.0 21.35 21
93.1 20.07 20
93.2 15.29 15
93.4 11.8 11
93.5 16.85 16
93.6 22.63 22
93.7 23.84 23
93.8 18.67 18
94.1 11.48 11
94.2 18.76 18
94.3 22.84 22
94.4 20.07 20
94.5 12.87 12
94.7 9.92 9
94.8 17.67 17
94.9 24.07 24
95.0 22.88 22
95.1 15.25 15
95.3 8.26 8
95.4 14.83 14
95.5 22.3 22
95.6 24.49 24
95.7 19.34 19
95.8 10.59 10
96.0 7.22 7
96.1 15.22 15
96.2 22.21 22
96.3 22.21 22
96.4 15.95 15
96.6 9.52 9
96.7 14.97 14
96.8 20.79 20
96.9 21.44 21
97.0 16.04 16
97.2 7.54 7
97.3 12.83 12
97.4 20.9 20
97.5 24.79 24
97.6 20.83 20
97.7 12.2 12
97.9 8.43 8
98.0 16.95 16
98.1 24.79 24
98.2 25.44 25
98.3 18.48 18
98.6 10.24 10
98.7 18.58 18
98.8 24.49 24
98.9 22.95 22
99.0 14.9 14
99.2 6.26 6
99.3 13.73 13
99.4 22.95 22
99.5 26.23 26
99.6 21.88 21
99.9 14.57 14
100.0 20.37 20
100.1 23.28 23
100.2 20.32 20
100.3 14.41 14
101.1 8.05 8
101.2 17.83 17
101.3 24.84 24
101.4 23.25 23
101.5 15.06 15
101.7 5.59 5
101.8 11.62 11
101.9 20.41 20
102.0 23.91 23
102.1 18.13 18
102.2 7.94 7
102.4 7.1 7
102.5 16.04 16
102.6 21.18 21
102.7 18.83 18
102.8 12.2 12
103.0 8.03 8
103.1 13.41 13
103.2 19.04 19
103.3 19.72 19
103.4 14.32 14
103.6 7.36 7
103.7 14.11 14
103.8 22.56 22
103.9 25.81 25
104.0 21.53 21
104.1 13.11 13
104.3 7.1 7
104.4 13.55 13
104.5 21.18 21
104.6 24.14 24
104.7 20.67 20
104.8 14.06 14
105.0 12.43 12
105.1 18.55 18
105.2 22.44 22
105.3 19.76 19
105.4 12.22 12
105.6 6.89 6
105.7 13.85 13
105.8 20.88 20
105.9 21.62 21
106.0 15.74 15
106.2 9.31 9
106.3 15.46 15
106.4 21.62 21
106.5 21.37 21
106.6 14.53 14
106.8 7.01 7
106.9 13.85 13
107.0 22.63 22
107.1 26.0 25
107.2 20.72 20
107.3 10.17 10
107.5 3.49 3
107.6 12.36 12
107.7 21.46 21
107.8 23.39 23
107.9 17.46 17
108.1 7.98 7
108.2 13.5 13
108.3 21.21 21
108.4 23.93 23
108.5 19.48 19
108.7 9.26 9
108.8 13.24 13
108.9 21.21 21
109.0 26.58 26
109.1 24.26 24
109.2 15.06 15
109.4 5.07 5
109.5 11.76 11
109.6 19.74 19
109.7 22.07 22
109.8 17.2 17
110.1 9.57 9
110.2 17.16 17
110.3 21.16 21
110.4 17.76 17
110.6 9.12 9
110.7 13.78 13
110.8 20.39 20
110.9 22.72 22
111.0 18.9 18
111.1 12.22 12
111.3 9.66 9
111.4 17.02 17
111.5 24.32 24
111.6 25.49 25
111.7 19.39 19
111.8 10.94 10
112.0 10.03 10
112.1 17.85 17
112.2 23.35 23
112.3 21.37 21
112.4 13.69 13
112.6 7.7 7
112.7 14.18 14
112.8 21.76 21
112.9 25.16 25
113.0 22.07 22
113.1 14.85 14
113.3 10.68 10
113.4 17.23 17
113.5 22.74 22
113.6 21.72 21
113.7 14.48 14
113.9 6.12 6
114.0 12.69 12
114.1 20.53 20
114.2 21.69 21
114.3 14.64 14
114.5 3.68 3
114.6 10.85 10
114.7 21.93 21
114.8 27.75 27
114.9 23.37 23
115.0 12.59 12
115.2 6.31 6
115.3 15.85 15
115.4 24.95 24
115.5 26.19 26
115.6 19.41 19
116.5 10.85 10
116.6 16.57 16
116.7 20.88 20
116.8 18.9 18
116.9 11.06 11
117.1 4.31 4
117.2 13.08 13
117.3 22.93 22
117.4 25.3 25
117.5 18.9 18
118.3 7.96 7
118.4 14.46 14
118.5 23.04 23
118.6 26.21 26
118.7 21.14 21
118.8 12.17 12
119.0 6.89 6
119.1 13.5 13
119.2 21.58 21
119.3 25.07 25
119.4 20.69 20
119.5 12.24 12
119.7 11.45 11
119.8 18.88 18
119.9 22.39 22
120.0 18.67 18
120.1 11.24 11
120.3 7.8 7
120.4 14.41 14
120.5 20.88 20
120.6 21.53 21
120.7 15.6 15
120.9 7.84 7
121.0 14.76 14
121.1 24.37 24
121.2 29.17 29
121.3 25.3 25
121.4 15.85 15
121.6 8.71 8
121.7 16.11 16
121.8 23.42 23
121.9 23.53 23
122.0 16.27 16
122.2 8.47 8
122.3 16.43 16
122.4 25.37 25
122.5 26.82 26
122.6 19.44 19
123.5 10.5 10
123.6 18.09 18
123.7 23.37 23
123.8 20.93 20
123.9 12.71 12
124.1 5.61 5
124.2 13.13 13
124.3 23.0 22
124.4 27.82 27
124.5 23.93 23
124.6 14.64 14
124.8 8.22 8
124.9 15.27 15
125.0 22.14 22
125.1 22.84 22
125.2 17.16 17
125.4 8.71 8
125.5 13.76 13
125.6 21.04 21
125.7 23.98 23
125.8 19.97 19
126.1 11.82 11
126.2 18.72 18
126.3 22.7 22
126.4 19.88 19
126.5 12.83 12
126.7 7.87 7
126.8 13.27 13
126.9 19.95 19
127.0 23.39 23
127.1 21.62 21
127.2 16.62 16
127.4 13.83 13
127.5 17.64 17
127.6 19.74 19
127.7 17.2 17
127.9 9.61 9
128.0 13.48 13
128.1 21.32 21
128.2 26.4 26
128.3 24.07 24
128.4 16.13 16
128.6 8.45 8
128.7 13.36 13
128.8 18.85 18
128.9 19.86 19
129.0 15.67 15
129.2 8.43 8
129.3 12.73 12
129.4 20.48 20
129.5 25.58 25
129.6 23.46 23
129.7 15.69 15
129.9 9.45 9
130.0 16.15 16
130.1 23.07 23
130.2 24.16 24
130.3 18.41 18
130.6 10.36 10
130.7 17.99 17
130.8 22.56 22
130.9 20.25 20
131.0 13.94 13
131.2 12.38 12
131.3 18.44 18
131.4 21.88 21
131.5 18.81 18
131.6 11.43 11
131.8 7.98 7
131.9 15.69 15
132.0 22.95 22
132.1 23.3 23
132.2 16.2 16
132.4 4.73 4
132.5 10.61 10
132.6 20.69 20
132.7 26.61 26
132.8 23.14 23
132.9 13.36 13
133.1 7.59 7
133.2 15.6 15
133.3 22.3 22
133.4 21.74 21
133.5 14.78 14
133.7 7.4 7
133.8 14.08 14
133.9 22.32 22
134.0 24.79 24
134.1 19.09 19
134.4 10.34 10
134.5 18.65 18
134.6 23.93 23
134.7 22.11 22
134.8 15.22 15
135.0 8.12 8
135.1 13.9 13
135.2 21.3 21
135.3 23.7 23
135.4 18.69 18
135.6 6.89 6
135.7 11.31 11
135.8 20.83 20
135.9 27.61 27
136.0 25.79 25
136.1 16.71 16
136.3 5.8 5
136.4 11.01 10
136.5 17.74 17
136.6 19.95 19
136.7 16.67 16
136.9 11.1 11
137.0 14.46 14
137.1 19.06 19
137.2 21.14 21
137.3 18.62 18
137.6 12.08 12
137.7 20.3 20
137.8 27.16 27
137.9 25.86 25
138.0 16.6 16
138.2 4.42 4
138.3 11.36 11
138.4 21.46 21
138.5 25.74 25
138.6 20.41 20
138.7 10.71 10
138.9 9.92 9
139.0 18.88 18
139.1 24.28 24
139.2 21.58 21
139.3 13.83 13
139.5 10.71 10
139.6 17.3 17
139.7 21.83 21
139.8 20.25 20
139.9 13.99 13
140.1 7.5 7
140.2 14.11 14
140.3 23.7 23
140.4 28.61 28
140.5 24.26 24
140.6 14.25 14
140.8 9.92 9
140.9 18.39 18
141.0 24.16 24
141.1 21.09 21
141.2 11.2 11
141.4 3.56 3
141.5 13.34 13
141.6 24.12 24
141.7 26.12 26
141.8 17.13 17
142.0 0.0 0
142.1 6.82 6
142.2 19.55 19
142.3 28.07 28
142.4 26.0 25
142.5 15.74 15
142.7 4.63 4
142.8 11.99 11
142.9 20.74 20
143.0 22.88 22
143.1 17.27 17
143.3 9.19 9
143.4 15.6 15
143.5 23.81 23
143.6 26.23 26
143.7 20.46 20
144.0 10.8 10
144.1 18.97 18
144.2 23.51 23
144.3 19.3 19
144.4 9.61 9
144.6 4.96 4
144.7 13.64 13
144.8 21.88 21
144.9 23.58 23
145.0 18.16 18
145.1 10.45 10
145.3 9.26 9
145.4 15.39 15
145.5 19.6 19
145.6 18.62 18
145.9 12.8 12
146.0 17.57 17
146.1 20.69 20
146.2 18.62 18
146.3 12.43 12
146.5 8.8 8
146.6 16.62 16
146.7 24.88 24
146.8 26.33 26
146.9 19.04 19
147.0 8.54 8
147.2 6.94 6
147.3 16.99 16
147.4 24.95 24
147.5 24.21 24
147.6 15.62 15
147.8 4.17 4
147.9 9.61 9
148.0 18.23 18
148.1 23.23 23
148.2 20.86 20
148.3 13.64 13
148.5 9.31 9
148.6 14.64 14
148.7 18.92 18
148.8 18.41 18
148.9 13.5 13
149.1 7.66 7
149.2 13.57 13
149.3 21.44 21
149.4 24.16 24
149.5 19.67 19
149.7 11.08 11
149.8 16.15 16
149.9 23.25 23
150.0 25.49 25
150.1 20.39 20
150.2 12.31 12
150.4 10.34 10
150.5 16.83 16
150.6 21.65 21
150.7 20.25 20
150.8 13.27 13
151.0 5.07 5
151.1 11.27 11
151.2 20.34 20
151.3 25.0 24
151.4 21.21 21
151.5 12.83 12
151.7 10.92 10
151.8 17.5 17
151.9 20.69 20
152.0 17.81 17
152.3 12.1 12
152.4 19.53 19
152.5 25.05 25
152.6 22.93 22
152.7 13.73 13
152.9 3.14 3
153.0 9.5 9
153.1 17.71 17
153.2 21.32 21
153.3 18.76 18
154.2 1.14 1
154.3 8.89 8
154.4 19.86 19
154.5 25.02 24
154.6 21.28 21
154.7 13.71 13
154.9 12.29 12
155.0 17.69 17
155.1 20.16 20
155.2 16.32 16
155.5 7.73 7
155.6 17.39 17
155.7 25.42 25
155.8 25.88 25
155.9 19.74 19
156.7 6.47 6
156.8 11.27 11
156.9 19.62 19
157.0 24.35 24
157.1 21.81 21
157.2 14.57 14
157.4 8.71 8
157.5 15.48 15
157.6 23.3 23
157.7 24.67 24
157.8 17.2 17
158.1 8.22 8
158.2 17.71 17
158.3 23.02 22
158.4 19.95 19
158.5 11.76 11
158.7 8.94 8
158.8 17.74 17
158.9 24.74 24
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//
