MassBank Record: MSBNK-RIKEN_NPDepo-NGA03819
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03819
RECORD_TITLE: Guan-fu base Y; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C22H29NO5
COMMENT: Bottle Name:Guan-fu base Y
COMMENT: PRIME Parent Name:Guan-fu base Y
COMMENT: PRIME in-house No.:V0331
COMMENT: SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
CH$NAME: Guanfu base Y
CH$NAME: 11,13,14-trihydroxyhetisan-2-yl acetate
CH$NAME: (1S,3S,16S,19S,10R,14R)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo(9.6.2.0(1,8).0(5,17).0(7,16).0(9,14).0(14,18))nonadec-3-yl acetate
CH$NAME: Guan-fu base Y
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C22H29NO5
CH$EXACT_MASS: 387.4801
CH$SMILES: C=C1C[C@@]23CC4C5C6(C)C[C@H](OC(C)=O)CC57C2[C@H](O)C1[C@@H](O)[C@]3(O)[C@H]7N4C6
CH$IUPAC: InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11-,12?,13?,14+,15?,16?,17+,18-,19?,20+,21?,22-/m0/s1
CH$LINK: CAS
110225-59-7
CH$LINK: CHEMSPIDER
20181446
CH$LINK: INCHIKEY
XGTNTUKODZZCGL-FDLOETHHSA-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: splash10-0a4i-4898880000-ae20fa93d2d79f03f939
PK$NUM_PEAK: 4322
PK$PEAK: m/z int. rel.int.
50.3 8.29 8
50.4 12.9 12
50.5 18.26 18
50.6 19.91 19
50.7 15.89 15
50.8 8.88 8
51.0 6.44 6
51.1 12.77 12
51.2 17.64 17
51.3 16.35 16
51.4 9.91 9
51.6 4.4 4
51.7 10.38 10
51.8 17.18 17
51.9 19.28 19
52.0 15.06 15
52.3 8.15 8
52.4 14.42 14
52.5 17.6 17
52.6 15.03 15
52.7 9.4 9
52.9 5.92 5
53.0 11.35 11
53.1 18.21 18
53.2 21.12 21
53.3 17.49 17
53.4 10.86 10
54.1 5.87 5
54.2 10.23 10
54.3 16.96 16
54.4 20.24 20
54.5 16.58 16
54.6 8.31 8
54.8 2.56 2
54.9 9.49 9
55.0 17.41 17
55.1 20.6 20
55.2 17.38 17
55.3 11.15 11
55.5 9.45 9
55.6 14.31 14
55.7 17.42 17
55.8 15.86 15
55.9 11.0 10
56.1 7.71 7
56.2 12.94 12
56.3 18.05 18
56.4 17.84 17
56.5 11.96 11
56.7 5.7 5
56.8 12.2 12
56.9 20.4 20
57.0 23.74 23
57.1 19.25 19
57.2 9.98 9
57.4 3.14 3
57.5 9.81 9
57.6 16.34 16
57.7 16.88 16
57.8 12.03 12
58.0 8.1 8
58.1 13.5 13
58.2 19.59 19
58.3 22.26 22
58.4 21.24 21
58.5 21.07 21
58.6 26.01 25
58.7 33.71 33
58.8 36.6 36
58.9 29.96 29
59.0 17.08 17
59.1 5.91 5
59.3 6.64 6
59.4 14.35 14
59.5 19.41 19
59.6 18.0 17
59.7 11.17 11
59.9 3.09 3
60.0 9.03 9
60.1 17.26 17
60.2 20.62 20
60.3 16.27 16
60.4 8.56 8
60.6 7.41 7
60.7 14.51 14
60.8 19.97 19
60.9 19.54 19
61.0 13.89 13
61.2 6.68 6
61.3 11.29 11
61.4 17.54 17
61.5 19.65 19
61.6 15.2 15
61.9 6.59 6
62.0 14.41 14
62.1 20.57 20
62.2 19.79 19
62.3 12.96 12
62.5 6.96 6
62.6 13.04 13
62.7 18.62 18
62.8 18.51 18
62.9 13.11 13
63.1 4.94 4
63.2 8.1 8
63.3 14.29 14
63.4 18.54 18
63.5 16.94 16
63.6 10.91 10
63.8 8.32 8
63.9 15.02 15
64.0 20.81 20
64.1 20.89 20
64.2 15.51 15
64.4 8.08 8
64.5 12.12 12
64.6 17.33 17
64.7 18.17 18
64.8 13.11 13
65.0 4.04 4
65.1 9.11 9
65.2 17.53 17
65.3 21.86 21
65.4 18.47 18
65.5 11.08 11
65.7 8.58 8
65.8 14.45 14
65.9 18.9 18
66.0 18.05 18
66.1 12.62 12
66.3 7.3 7
66.4 12.9 12
66.5 19.57 19
66.6 21.35 21
66.7 16.29 16
66.8 8.47 8
67.0 5.78 5
67.1 11.42 11
67.2 15.75 15
67.3 14.87 14
67.4 9.34 9
67.6 6.33 6
67.7 14.1 14
67.8 21.23 21
67.9 20.73 20
68.0 12.7 12
68.2 4.12 4
68.3 11.0 10
68.4 18.4 18
68.5 20.05 20
68.6 15.67 15
68.7 9.59 9
68.9 6.91 6
69.0 11.13 11
69.1 15.72 15
69.2 17.0 16
69.3 13.78 13
69.5 8.9 8
69.6 13.43 13
69.7 18.95 18
69.8 20.19 20
69.9 15.66 15
70.2 8.22 8
70.3 15.6 15
70.4 20.65 20
70.5 18.59 18
70.6 11.19 11
70.8 4.65 4
70.9 10.25 10
71.0 16.91 16
71.1 19.21 19
71.2 15.36 15
72.1 6.17 6
72.2 12.9 12
72.3 18.47 18
72.4 18.97 18
72.5 14.72 14
72.7 9.18 9
72.8 13.51 13
72.9 18.92 18
73.0 19.94 19
73.1 14.63 14
73.3 3.83 3
73.4 8.46 8
73.5 17.08 17
73.6 22.15 22
73.7 19.13 19
73.8 11.04 11
74.0 6.36 6
74.1 12.88 12
74.2 18.76 18
74.3 19.03 19
74.4 14.08 14
74.6 9.01 9
74.7 13.78 13
74.8 19.28 19
74.9 20.81 20
75.0 16.55 16
75.1 9.04 9
75.3 4.71 4
75.4 10.8 10
75.5 16.5 16
75.6 16.98 16
75.7 12.69 12
75.9 8.56 8
76.0 13.27 13
76.1 18.53 18
76.2 19.57 19
76.3 15.07 15
76.6 7.73 7
76.7 14.22 14
76.8 19.56 19
76.9 19.21 19
77.0 13.44 13
77.2 6.46 6
77.3 10.78 10
77.4 15.68 15
77.5 16.54 16
77.6 12.82 12
77.8 6.42 6
77.9 9.99 9
78.0 16.37 16
78.1 20.32 20
78.2 18.04 18
78.3 11.19 11
78.5 7.38 7
78.6 14.58 14
78.7 21.07 21
78.8 20.84 20
78.9 14.17 14
79.1 6.82 6
79.2 12.57 12
79.3 19.0 18
79.4 20.02 19
79.5 14.56 14
79.6 7.07 7
79.8 6.39 6
79.9 12.6 12
80.0 16.58 16
80.1 15.02 15
80.2 9.75 9
80.4 7.78 7
80.5 14.29 14
80.6 20.53 20
80.7 21.34 21
80.8 16.22 16
81.0 8.6 8
81.1 12.76 12
81.2 18.4 18
81.3 20.13 20
81.4 16.03 16
81.5 9.01 9
81.7 4.67 4
81.8 10.0 9
81.9 16.34 16
82.0 18.88 18
82.1 15.58 15
82.4 8.24 8
82.5 14.66 14
82.6 18.58 18
82.7 16.21 16
83.0 9.71 9
83.1 15.99 15
83.2 19.87 19
83.3 17.4 17
83.4 10.3 10
83.6 5.62 5
83.7 12.1 12
83.8 18.51 18
83.9 19.69 19
84.0 15.44 15
84.3 10.56 10
84.4 14.99 14
84.5 17.31 17
84.6 15.44 15
84.7 10.79 10
84.9 8.55 8
85.0 14.14 14
85.1 19.24 19
85.2 18.68 18
85.3 12.4 12
85.5 4.57 4
85.6 9.43 9
85.7 15.97 15
85.8 18.56 18
85.9 15.24 15
86.8 6.91 6
86.9 13.65 13
87.0 18.4 18
87.1 16.98 16
87.2 10.83 10
87.4 4.37 4
87.5 9.22 9
87.6 16.03 16
87.7 19.5 19
87.8 16.85 16
87.9 10.57 10
88.1 8.79 8
88.2 15.63 15
88.3 21.47 21
88.4 21.43 21
88.5 15.72 15
88.7 7.67 7
88.8 11.68 11
88.9 17.22 17
89.0 18.92 18
89.1 14.95 14
89.3 6.61 6
89.4 10.38 10
89.5 17.5 17
89.6 22.02 21
89.7 19.6 19
89.8 11.9 11
90.0 6.27 6
90.1 12.45 12
90.2 17.73 17
90.3 17.02 17
90.4 10.91 10
90.6 4.05 4
90.7 9.84 9
90.8 17.67 17
90.9 20.93 20
91.0 16.73 16
91.1 8.83 8
91.3 7.06 7
91.4 14.47 14
91.5 20.18 20
91.6 19.46 19
91.7 12.81 12
91.9 3.42 3
92.0 8.58 8
92.1 16.18 16
92.2 19.09 19
92.3 14.75 14
92.6 8.16 8
92.7 15.32 15
92.8 19.47 19
92.9 17.08 17
93.0 10.61 10
93.2 6.98 6
93.3 12.41 12
93.4 17.6 17
93.5 18.49 18
93.6 14.6 14
93.9 9.14 9
94.0 15.28 15
94.1 19.08 19
94.2 16.13 16
94.3 8.9 8
94.5 7.68 7
94.6 14.75 14
94.7 18.99 18
94.8 16.18 16
94.9 7.94 7
95.1 1.21 1
95.2 9.88 9
95.3 19.83 19
95.4 22.68 22
95.5 16.37 16
95.6 6.8 6
95.8 5.56 5
95.9 13.68 13
96.0 19.65 19
96.1 19.09 19
96.2 13.06 13
96.4 6.12 6
96.5 11.3 11
96.6 17.85 17
96.7 19.55 19
96.8 14.3 14
97.0 3.03 3
97.1 7.78 7
97.2 16.88 16
97.3 21.93 21
97.4 17.79 17
97.5 8.29 8
97.7 5.37 5
97.8 13.75 13
97.9 19.88 19
98.0 18.86 18
98.1 12.31 12
98.3 5.57 5
98.4 11.32 11
98.5 18.9 18
98.6 21.92 21
98.7 17.5 17
98.8 9.11 9
99.0 6.69 6
99.1 14.8 14
99.2 21.63 21
99.3 21.89 21
99.4 16.16 16
99.6 8.5 8
99.7 12.78 12
99.8 18.09 18
99.9 18.91 18
100.0 13.87 13
100.2 5.4 5
100.3 9.66 9
100.4 16.02 16
100.5 18.35 18
100.6 14.42 14
100.7 7.73 7
100.9 5.18 5
101.0 10.59 10
101.1 15.87 15
101.2 17.23 17
101.3 14.36 14
101.5 10.26 10
101.6 13.89 13
101.7 18.25 18
101.8 18.78 18
101.9 13.93 13
102.0 7.12 7
102.2 6.63 6
102.3 12.23 12
102.4 15.73 15
102.5 14.64 14
102.6 10.53 10
102.8 8.41 8
102.9 13.89 13
103.0 19.33 19
103.1 19.55 19
103.2 13.94 13
103.4 4.78 4
103.5 8.52 8
103.6 14.91 14
103.7 18.31 18
103.8 15.68 15
104.1 9.09 9
104.2 15.3 15
104.3 19.01 18
104.4 16.99 16
104.6 9.28 9
104.7 12.07 12
104.8 18.47 18
104.9 23.8 23
105.0 23.7 23
105.1 16.89 16
105.2 7.41 7
105.4 5.73 5
105.5 14.6 14
105.6 21.03 21
105.7 19.22 19
105.8 10.7 10
106.0 2.87 2
106.1 10.73 10
106.2 19.75 19
106.3 22.03 22
106.4 15.85 15
106.5 7.05 7
106.7 6.6 6
106.8 13.4 13
106.9 17.64 17
107.0 16.29 16
107.1 11.32 11
107.3 8.16 8
107.4 12.58 12
107.5 16.5 16
107.6 16.01 15
107.7 11.08 11
107.9 6.14 6
108.0 11.62 11
108.1 18.02 18
108.2 19.89 19
108.3 15.96 15
108.6 9.99 9
108.7 16.24 16
108.8 20.1 20
108.9 18.01 17
109.0 11.68 11
109.2 6.11 6
109.3 10.82 10
109.4 16.32 16
109.5 17.84 17
109.6 13.79 13
109.9 7.76 7
110.0 14.62 14
110.1 18.8 18
110.2 16.26 16
110.3 9.4 9
110.5 6.07 6
110.6 12.46 12
110.7 18.01 17
110.8 17.99 17
110.9 12.8 12
111.1 6.29 6
111.2 10.45 10
111.3 16.2 16
111.4 18.71 18
111.5 15.78 15
111.6 9.73 9
111.8 7.85 7
111.9 14.0 13
112.0 18.5 18
112.1 16.88 16
112.2 10.34 10
112.4 3.81 3
112.5 8.97 8
112.6 15.61 15
112.7 18.04 18
112.8 14.14 14
113.0 4.73 4
113.1 9.39 9
113.2 18.21 18
113.3 23.51 23
113.4 20.22 20
113.5 11.0 10
113.7 3.54 3
113.8 9.43 9
113.9 15.27 15
114.0 15.79 15
114.1 10.93 10
114.3 4.59 4
114.4 9.06 9
114.5 14.81 14
114.6 16.56 16
114.7 12.6 12
114.9 4.69 4
115.0 9.39 9
115.1 17.76 17
115.2 23.17 23
115.3 20.88 20
115.4 12.8 12
115.6 7.12 7
115.7 14.25 14
115.8 20.88 20
115.9 21.21 21
116.0 15.21 15
116.2 7.66 7
116.3 13.58 13
116.4 20.62 20
116.5 21.12 21
116.6 13.45 13
116.8 1.48 1
116.9 7.21 7
117.0 15.9 15
117.1 20.56 20
117.2 18.14 18
117.3 10.77 10
117.5 2.6 2
117.6 7.51 7
117.7 14.66 14
117.8 18.22 18
117.9 15.54 15
118.8 5.14 5
118.9 10.37 10
119.0 16.57 16
119.1 19.14 19
119.2 16.1 16
119.3 10.03 10
119.5 8.58 8
119.6 14.59 14
119.7 18.34 18
119.8 15.74 15
119.9 9.0 8
120.1 6.48 6
120.2 14.25 14
120.3 21.7 21
120.4 22.9 22
120.5 17.11 17
121.4 7.57 7
121.5 15.24 15
121.6 20.91 20
121.7 19.02 19
121.8 11.03 11
122.0 4.9 4
122.1 12.11 12
122.2 19.85 19
122.3 21.86 21
122.4 16.81 16
122.5 9.18 9
122.7 8.47 8
122.8 14.94 14
122.9 18.93 18
123.0 17.08 17
123.1 11.32 11
123.3 9.22 9
123.4 15.22 15
123.5 19.43 19
123.6 17.42 17
123.7 10.46 10
123.9 3.71 3
124.0 9.23 9
124.1 16.01 15
124.2 18.66 18
124.3 15.41 15
124.5 6.69 6
124.6 9.95 9
124.7 17.29 17
124.8 22.29 22
124.9 19.99 19
125.0 11.85 11
125.2 4.58 4
125.3 11.35 11
125.4 19.09 19
125.5 20.9 20
125.6 15.2 15
125.8 5.85 5
125.9 10.98 10
126.0 17.57 17
126.1 19.39 19
126.2 15.24 15
126.5 9.73 9
126.6 16.36 16
126.7 21.14 21
126.8 19.93 19
126.9 13.58 13
127.1 6.24 6
127.2 10.78 10
127.3 17.19 17
127.4 20.71 20
127.5 19.1 19
127.6 14.29 14
127.8 12.86 12
127.9 18.24 18
128.0 21.74 21
128.1 18.65 18
128.2 9.71 9
128.4 1.29 1
128.5 9.16 9
128.6 18.14 18
128.7 20.63 20
128.8 15.59 15
129.1 8.83 8
129.2 16.2 16
129.3 20.88 20
129.4 18.45 18
129.5 11.21 11
129.7 8.42 8
129.8 15.57 15
129.9 21.15 21
130.0 20.6 20
130.1 15.06 15
130.3 8.06 8
130.4 11.55 11
130.5 16.5 16
130.6 17.98 17
130.7 13.95 13
130.9 4.86 4
131.0 8.58 8
131.1 16.16 16
131.2 21.53 21
131.3 19.89 19
131.4 12.05 12
131.6 4.36 4
131.7 11.28 11
131.8 18.72 18
131.9 20.0 19
132.0 15.07 15
132.2 9.04 9
132.3 12.7 12
132.4 16.73 16
132.5 17.77 17
132.6 15.07 15
132.7 10.29 10
132.9 7.29 7
133.0 12.59 12
133.1 18.12 18
133.2 18.09 18
133.3 11.83 11
133.5 6.4 6
133.6 14.15 14
133.7 21.98 21
133.8 22.87 22
133.9 15.94 15
134.0 6.9 6
134.2 5.2 5
134.3 12.01 11
134.4 17.12 17
134.5 16.45 16
134.6 10.93 10
134.8 6.25 6
134.9 12.27 12
135.0 19.33 19
135.1 21.91 21
135.2 18.07 18
135.3 10.85 10
135.5 8.64 8
135.6 15.82 15
135.7 21.12 21
135.8 19.48 19
135.9 12.47 12
136.1 7.1 7
136.2 13.27 13
136.3 19.27 19
136.4 19.41 19
136.5 13.43 13
136.7 5.06 5
136.8 9.09 9
136.9 14.91 14
137.0 17.81 17
137.1 15.76 15
137.2 10.74 10
137.4 8.92 8
137.5 14.64 14
137.6 19.73 19
137.7 19.24 19
137.8 12.91 12
138.0 5.54 5
138.1 11.75 11
138.2 18.83 18
138.3 20.25 20
138.4 14.84 14
138.7 7.74 7
138.8 14.79 14
138.9 19.01 18
139.0 16.5 16
139.1 9.55 9
139.3 6.82 6
139.4 14.37 14
139.5 20.97 20
139.6 20.83 20
139.7 14.07 14
139.9 5.58 5
140.0 11.48 11
140.1 18.5 18
140.2 19.61 19
140.3 13.34 13
140.6 5.08 5
140.7 14.03 14
140.8 20.24 20
140.9 18.61 18
141.0 11.66 11
141.2 8.87 8
141.3 14.52 14
141.4 17.72 17
141.5 15.16 15
141.6 8.75 8
141.8 4.35 4
141.9 11.03 11
142.0 18.27 18
142.1 19.89 19
142.2 14.44 14
142.5 6.09 6
142.6 14.01 13
142.7 20.13 20
142.8 19.42 19
142.9 12.94 12
143.1 8.32 8
143.2 15.3 15
143.3 21.51 21
143.4 21.05 21
143.5 13.9 13
143.7 2.45 2
143.8 6.73 6
143.9 15.03 15
144.0 20.87 20
144.1 19.86 19
144.2 13.32 13
144.4 6.99 6
144.5 12.52 12
144.6 18.71 18
144.7 20.05 20
144.8 15.2 15
144.9 7.89 7
145.1 6.09 6
145.2 12.2 12
145.3 16.41 16
145.4 14.8 14
145.7 8.1 8
145.8 14.87 14
145.9 19.7 19
146.0 17.9 17
146.1 10.71 10
146.3 3.55 3
146.4 9.5 9
146.5 17.23 17
146.6 20.6 20
146.7 16.96 16
146.8 9.36 9
147.0 6.25 6
147.1 13.32 13
147.2 19.2 19
147.3 18.73 18
147.4 12.58 12
147.6 5.6 5
147.7 10.78 10
147.8 16.89 16
147.9 17.83 17
148.0 12.15 12
148.3 5.31 5
148.4 13.31 13
148.5 18.28 18
148.6 15.47 15
148.7 7.38 7
148.9 4.75 4
149.0 13.47 13
149.1 20.66 20
149.2 20.72 20
149.3 14.28 14
149.5 4.8 4
149.6 9.06 9
149.7 15.66 15
149.8 18.66 18
149.9 15.73 15
150.0 9.89 9
150.2 6.99 6
150.3 11.59 11
150.4 15.37 15
150.5 14.21 14
150.8 7.08 7
150.9 15.34 15
151.0 22.85 22
151.1 23.31 23
151.2 16.61 16
151.5 9.87 9
151.6 15.35 15
151.7 18.1 18
151.8 16.16 16
151.9 11.29 11
152.1 8.39 8
152.2 12.79 12
152.3 16.78 16
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598.6 8.75 8
598.8 5.47 5
598.9 12.76 12
599.0 19.44 19
599.1 20.84 20
599.2 16.72 16
//
system version 2.2.6-SNAPSHOT
