MassBank Record: MSBNK-RIKEN_NPDepo-NGA03820
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03820
RECORD_TITLE: Guan-fu base Y; 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: 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: splash10-000x-4889880000-4616615795913beda25e
PK$NUM_PEAK: 4300
PK$PEAK: m/z int. rel.int.
50.5 10.16 10
50.6 17.11 17
50.7 21.66 21
50.8 18.82 18
50.9 10.13 10
51.1 2.84 2
51.2 10.55 10
51.3 20.01 19
51.4 23.83 23
51.5 19.21 19
51.6 10.65 10
51.8 9.21 9
51.9 16.55 16
52.0 20.97 20
52.1 18.24 18
52.2 10.48 10
52.4 4.23 4
52.5 11.59 11
52.6 20.17 20
52.7 22.27 22
52.8 15.78 15
53.0 4.72 4
53.1 11.41 11
53.2 20.73 20
53.3 24.18 24
53.4 19.02 19
53.7 10.12 10
53.8 17.65 17
53.9 21.68 21
54.0 18.55 18
54.1 11.23 11
54.3 6.58 6
54.4 11.51 11
54.5 16.69 16
54.6 18.17 18
54.7 14.87 14
54.9 8.4 8
55.0 12.66 12
55.1 19.45 19
55.2 22.95 22
55.3 19.93 19
55.4 12.3 12
55.6 4.41 4
55.7 9.98 9
55.8 17.51 17
55.9 20.84 20
56.0 17.82 17
56.3 12.38 12
56.4 18.74 18
56.5 23.04 23
56.6 21.08 21
56.7 14.24 14
56.9 8.88 8
57.0 14.17 14
57.1 19.5 19
57.2 20.23 20
57.3 15.64 15
57.5 7.52 7
57.6 11.3 11
57.7 17.3 17
57.8 19.76 19
57.9 16.29 16
58.0 10.04 10
58.2 8.65 8
58.3 14.8 14
58.4 18.99 18
58.5 16.49 16
58.6 9.09 9
58.8 5.96 5
58.9 13.69 13
59.0 20.04 20
59.1 19.73 19
59.2 13.28 13
59.4 4.52 4
59.5 9.03 9
59.6 15.71 15
59.7 18.99 18
59.8 16.78 16
59.9 11.77 11
60.1 9.82 9
60.2 14.13 14
60.3 18.1 18
60.4 18.56 18
60.5 14.73 14
60.7 8.01 8
60.8 12.06 12
60.9 18.47 18
61.0 21.08 21
61.1 16.74 16
61.4 9.14 9
61.5 17.78 17
61.6 23.12 23
61.7 20.55 20
61.8 12.83 12
62.0 8.52 8
62.1 15.53 15
62.2 21.72 21
62.3 21.1 21
62.4 13.66 13
62.6 4.28 4
62.7 9.63 9
62.8 16.51 16
62.9 19.0 18
63.0 15.45 15
63.1 9.08 9
63.3 7.33 7
63.4 13.28 13
63.5 17.88 17
63.6 17.22 17
63.7 12.19 12
63.9 7.96 7
64.0 14.24 14
64.1 21.63 21
64.2 23.18 23
64.3 16.51 16
64.6 7.13 7
64.7 16.46 16
64.8 23.21 23
64.9 22.63 22
65.0 15.94 15
65.2 8.52 8
65.3 14.04 14
65.4 20.69 20
65.5 21.72 21
65.6 15.26 15
65.8 3.2 3
65.9 8.18 8
66.0 16.84 16
66.1 21.88 21
66.2 19.83 19
66.3 13.35 13
66.5 8.25 8
66.6 13.56 13
66.7 19.5 19
66.8 20.51 20
66.9 15.15 15
67.1 5.89 5
67.2 11.5 11
67.3 20.14 20
67.4 23.61 23
67.5 18.41 18
67.6 9.28 9
67.8 7.69 7
67.9 15.19 15
68.0 20.45 20
68.1 19.0 18
68.2 11.58 11
68.4 3.4 3
68.5 10.16 10
68.6 18.71 18
68.7 22.02 21
68.8 18.05 18
68.9 11.0 10
69.1 9.63 9
69.2 15.94 15
69.3 19.99 19
69.4 17.19 17
69.5 9.47 9
69.7 6.7 6
69.8 15.74 15
69.9 23.39 23
70.0 23.15 23
70.1 15.7 15
70.3 6.51 6
70.4 12.27 12
70.5 20.41 20
70.6 24.57 24
70.7 21.72 21
70.8 14.56 14
71.0 11.1 11
71.1 17.47 17
71.2 22.12 22
71.3 20.17 20
71.4 12.52 12
71.6 3.97 3
71.7 10.58 10
71.8 19.61 19
71.9 23.32 23
72.0 18.64 18
72.1 10.19 10
72.3 8.99 8
72.4 16.42 16
72.5 20.71 20
72.6 17.73 17
72.7 10.27 10
72.9 7.52 7
73.0 14.7 14
73.1 20.59 20
73.2 20.2 20
73.3 14.32 14
73.5 7.14 7
73.6 11.28 11
73.7 17.2 17
73.8 19.65 19
73.9 15.63 15
74.2 7.23 7
74.3 15.86 15
74.4 21.49 21
74.5 18.86 18
74.6 10.36 10
74.8 6.22 6
74.9 15.51 15
75.0 23.85 23
75.1 24.09 24
75.2 16.39 16
75.4 4.25 4
75.5 9.23 9
75.6 18.0 17
75.7 23.09 23
75.8 20.15 20
75.9 11.87 11
76.1 7.77 7
76.2 15.79 15
76.3 22.71 22
76.4 22.63 22
76.5 16.25 16
76.7 8.37 8
76.8 13.48 13
76.9 20.21 20
77.0 22.44 22
77.1 17.92 17
77.2 10.14 10
77.4 6.38 6
77.5 12.82 12
77.6 19.71 19
77.7 21.49 21
77.8 16.69 16
78.0 8.59 8
78.1 13.77 13
78.2 19.44 19
78.3 18.55 18
78.4 11.29 11
78.6 4.45 4
78.7 11.17 11
78.8 19.24 19
78.9 22.28 22
79.0 18.0 17
79.2 7.22 7
79.3 11.77 11
79.4 20.36 20
79.5 25.16 25
79.6 21.52 21
79.7 11.99 11
79.9 5.2 5
80.0 13.71 13
80.1 22.8 22
80.2 25.05 25
80.3 18.78 18
80.6 9.92 9
80.7 18.03 18
80.8 22.98 22
80.9 21.21 21
81.0 15.0 14
81.2 9.0 8
81.3 13.34 13
81.4 18.36 18
81.5 19.39 19
81.6 15.99 15
81.8 10.72 10
81.9 13.41 13
82.0 17.47 17
82.1 18.96 18
82.2 15.7 15
82.3 9.61 9
82.5 7.43 7
82.6 14.52 14
82.7 21.74 21
82.8 22.97 22
82.9 16.76 16
83.1 6.99 6
83.2 12.21 12
83.3 19.09 19
83.4 21.04 21
83.5 16.07 16
83.8 7.83 7
83.9 17.75 17
84.0 25.76 25
84.1 25.6 25
84.2 18.28 18
84.4 9.23 9
84.5 14.6 14
84.6 21.18 21
84.7 21.94 21
84.8 15.36 15
85.0 6.07 6
85.1 12.25 12
85.2 19.92 19
85.3 22.09 22
85.4 17.2 17
85.5 9.58 9
85.7 8.11 8
85.8 15.99 15
85.9 22.67 22
86.0 22.35 22
86.1 15.64 15
86.3 9.39 9
86.4 15.08 15
86.5 20.8 20
86.6 21.33 21
86.7 15.67 15
87.0 6.99 6
87.1 14.93 14
87.2 21.22 21
87.3 21.35 21
87.4 16.15 16
87.6 8.84 8
87.7 12.83 12
87.8 19.32 19
87.9 22.32 22
88.0 18.05 18
88.1 9.24 9
88.3 6.52 6
88.4 14.67 14
88.5 20.01 19
88.6 17.46 17
88.7 9.82 9
88.9 7.11 7
89.0 15.31 15
89.1 22.62 22
89.2 23.24 23
89.3 17.31 17
89.5 8.04 8
89.6 12.46 12
89.7 19.44 19
89.8 22.23 22
89.9 17.5 17
90.2 8.8 8
90.3 16.65 16
90.4 21.42 21
90.5 19.21 19
90.6 12.39 12
90.8 8.09 8
90.9 14.15 14
91.0 20.17 20
91.1 21.37 21
91.2 17.18 17
91.3 11.02 11
91.5 9.34 9
91.6 15.1 15
91.7 20.34 20
91.8 20.83 20
91.9 15.95 15
92.1 8.37 8
92.2 12.74 12
92.3 18.35 18
92.4 18.88 18
92.5 13.24 13
92.7 6.38 6
92.8 12.49 12
92.9 19.73 19
93.0 21.45 21
93.1 16.07 16
93.3 6.23 6
93.4 10.53 10
93.5 17.53 17
93.6 21.15 21
93.7 18.5 18
93.8 11.86 11
94.0 7.39 7
94.1 13.99 13
94.2 21.15 21
94.3 22.38 22
94.4 15.72 15
94.7 5.91 5
94.8 14.26 14
94.9 19.68 19
95.0 18.44 18
95.1 12.82 12
95.3 8.64 8
95.4 14.04 14
95.5 20.21 20
95.6 22.02 21
95.7 18.03 18
95.9 10.12 10
96.0 14.07 14
96.1 20.17 20
96.2 22.37 22
96.3 18.29 18
96.4 11.14 11
96.6 8.46 8
96.7 13.92 13
96.8 17.85 17
96.9 16.26 16
97.0 10.23 10
97.2 7.18 7
97.3 15.04 15
97.4 22.32 22
97.5 22.18 22
97.6 14.57 14
97.8 5.42 5
97.9 11.98 11
98.0 20.38 20
98.1 23.43 23
98.2 18.06 18
98.3 8.22 8
98.5 5.2 5
98.6 15.35 15
98.7 24.09 24
98.8 24.24 24
98.9 15.99 15
99.1 3.45 3
99.2 8.78 8
99.3 17.17 17
99.4 21.12 21
99.5 17.94 17
99.8 11.14 11
99.9 17.32 17
100.0 21.47 21
100.1 19.23 19
100.2 11.63 11
100.4 6.02 6
100.5 13.66 13
100.6 21.39 21
100.7 22.44 22
100.8 16.14 16
101.0 6.46 6
101.1 11.8 11
101.2 19.46 19
101.3 22.76 22
101.4 19.48 19
101.5 12.93 12
101.7 9.58 9
101.8 14.9 14
101.9 19.87 19
102.0 19.94 19
102.1 14.74 14
102.4 10.06 10
102.5 15.68 15
102.6 19.21 19
102.7 18.41 18
103.0 13.43 13
103.1 18.1 18
103.2 21.72 21
103.3 20.1 20
103.4 13.45 13
103.6 5.43 5
103.7 10.53 10
103.8 17.7 17
103.9 20.98 20
104.0 17.7 17
104.3 10.25 10
104.4 17.74 17
104.5 22.05 22
104.6 18.17 18
104.7 8.66 8
104.9 2.06 2
105.0 9.53 9
105.1 17.43 17
105.2 19.37 19
105.3 14.04 14
105.5 4.49 4
105.6 10.8 10
105.7 20.8 20
105.8 25.97 25
105.9 21.84 21
106.0 12.45 12
106.2 8.35 8
106.3 15.87 15
106.4 21.55 21
106.5 20.27 20
106.6 13.43 13
106.8 5.46 5
106.9 9.01 9
107.0 14.14 14
107.1 17.09 17
107.2 16.2 16
107.4 11.51 11
107.5 14.46 14
107.6 20.38 20
107.7 23.82 23
107.8 20.59 20
107.9 12.69 12
108.1 9.79 9
108.2 17.39 17
108.3 22.35 22
108.4 19.38 19
108.5 10.94 10
108.7 5.52 5
108.8 12.1 12
108.9 17.88 17
109.0 17.64 17
109.1 11.64 11
109.3 4.39 4
109.4 10.8 10
109.5 19.74 19
109.6 23.74 23
109.7 19.07 19
109.8 9.23 9
110.0 2.73 2
110.1 10.22 10
110.2 18.26 18
110.3 20.49 20
110.4 15.78 15
110.6 7.36 7
110.7 12.31 12
110.8 19.9 19
110.9 23.73 23
111.0 20.56 20
111.1 13.2 13
111.3 10.86 10
111.4 18.56 18
111.5 24.53 24
111.6 23.47 23
111.7 16.55 16
111.9 9.47 9
112.0 14.61 14
112.1 20.14 20
112.2 20.72 20
112.3 15.78 15
112.5 7.21 7
112.6 10.96 10
112.7 18.29 18
112.8 23.36 23
112.9 21.22 21
113.0 12.81 12
113.2 5.13 5
113.3 12.14 12
113.4 19.27 19
113.5 20.16 20
113.6 14.89 14
113.8 8.39 8
113.9 13.29 13
114.0 19.42 19
114.1 21.55 21
114.2 17.61 17
114.3 10.16 10
114.5 5.42 5
114.6 11.45 11
114.7 17.34 17
114.8 17.94 17
114.9 13.14 13
115.1 6.52 6
115.2 11.66 11
115.3 19.47 19
115.4 23.53 23
115.5 20.3 20
115.6 12.9 12
115.8 9.86 9
115.9 15.39 15
116.0 19.2 19
116.1 17.88 17
116.2 12.55 12
116.4 7.88 7
116.5 12.9 12
116.6 18.29 18
116.7 19.0 18
116.8 14.41 14
117.0 6.33 6
117.1 9.72 9
117.2 16.53 16
117.3 21.54 21
117.4 20.55 20
117.5 14.43 14
117.7 9.19 9
117.8 15.18 15
117.9 21.13 21
118.0 21.69 21
118.1 16.92 16
118.2 11.23 11
118.9 4.09 4
119.0 8.82 8
119.1 17.38 17
119.2 22.8 22
119.3 20.43 20
119.4 11.85 11
119.6 1.59 1
119.7 7.02 7
119.8 15.11 15
119.9 19.14 19
120.0 16.14 16
120.9 7.46 7
121.0 15.14 15
121.1 21.52 21
121.2 21.97 21
121.3 16.32 16
122.2 6.62 6
122.3 15.37 15
122.4 22.07 22
122.5 21.47 21
122.6 15.18 15
122.8 10.48 10
122.9 16.76 16
123.0 22.56 22
123.1 22.21 22
123.2 15.22 15
123.4 4.03 4
123.5 9.78 9
123.6 20.21 20
123.7 26.83 26
123.8 23.95 23
123.9 14.42 14
124.1 6.66 6
124.2 12.33 12
124.3 17.46 17
124.4 16.99 16
124.5 10.76 10
124.7 3.32 3
124.8 10.0 9
124.9 18.83 18
125.0 22.42 22
125.1 18.19 18
125.2 10.36 10
125.4 8.93 8
125.5 15.8 15
125.6 19.86 19
125.7 17.24 17
126.0 10.5 10
126.1 17.06 17
126.2 21.18 21
126.3 19.02 19
126.4 11.83 11
126.6 4.24 4
126.7 10.14 10
126.8 18.41 18
126.9 22.8 22
127.0 20.52 20
127.1 13.97 13
127.3 8.31 8
127.4 13.5 13
127.5 19.73 19
127.6 20.97 20
127.7 15.42 15
127.9 7.85 7
128.0 15.25 15
128.1 24.02 23
128.2 25.97 25
128.3 19.44 19
128.4 10.09 10
128.6 8.27 8
128.7 15.79 15
128.8 21.67 21
128.9 20.94 20
129.0 14.03 14
129.2 5.42 5
129.3 10.94 10
129.4 17.78 17
129.5 19.4 19
129.6 14.39 14
129.8 5.28 5
129.9 9.99 9
130.0 17.84 17
130.1 21.81 21
130.2 18.05 18
130.3 9.62 9
130.5 5.41 5
130.6 13.16 13
130.7 21.06 21
130.8 23.09 23
130.9 18.28 18
131.7 6.52 6
131.8 10.48 10
131.9 18.13 18
132.0 24.04 24
132.1 23.57 23
132.2 16.77 16
133.0 3.03 3
133.1 10.26 10
133.2 20.85 20
133.3 25.43 25
133.4 20.28 20
133.5 10.72 10
133.7 7.83 7
133.8 15.92 15
133.9 23.31 23
134.0 24.64 24
134.1 19.27 19
134.9 4.71 4
135.0 9.3 9
135.1 16.87 16
135.2 21.41 21
135.3 19.93 19
135.4 14.21 14
136.2 8.94 8
136.3 12.66 12
136.4 18.41 18
136.5 21.41 21
136.6 18.54 18
136.7 11.85 11
136.9 7.76 7
137.0 13.6 13
137.1 19.14 19
137.2 19.02 19
137.3 13.01 12
137.5 7.34 7
137.6 13.72 13
137.7 19.95 19
137.8 20.29 20
137.9 14.83 14
138.1 6.85 6
138.2 11.33 11
138.3 18.89 18
138.4 23.91 23
138.5 22.48 22
138.6 15.64 15
138.8 7.46 7
138.9 13.11 13
139.0 21.65 21
139.1 25.77 25
139.2 21.56 21
139.3 12.86 12
139.5 11.33 11
139.6 19.11 19
139.7 23.02 22
139.8 18.53 18
139.9 9.2 9
140.1 6.12 6
140.2 14.62 14
140.3 21.52 21
140.4 21.75 21
140.5 16.35 16
141.3 7.68 7
141.4 11.62 11
141.5 18.34 18
141.6 22.44 22
141.7 20.4 20
141.8 13.64 13
142.0 6.73 6
142.1 11.73 11
142.2 18.15 18
142.3 20.61 20
142.4 17.34 17
142.6 10.29 10
142.7 13.96 13
142.8 19.57 19
142.9 21.53 21
143.0 17.08 17
143.1 8.99 8
143.3 5.45 5
143.4 13.98 13
143.5 23.17 23
143.6 26.12 26
143.7 20.38 20
143.8 10.38 10
144.0 7.78 7
144.1 16.9 16
144.2 22.85 22
144.3 20.07 20
144.4 12.25 12
144.6 10.93 10
144.7 18.27 18
144.8 23.05 23
144.9 21.04 21
145.0 13.87 13
145.2 6.81 6
145.3 11.92 11
145.4 18.37 18
145.5 21.18 21
145.6 18.54 18
146.5 5.93 5
146.6 13.49 13
146.7 19.73 19
146.8 20.15 20
146.9 15.61 15
147.1 9.86 9
147.2 13.49 13
147.3 18.36 18
147.4 19.5 19
147.5 14.84 14
147.7 6.38 6
147.8 11.97 11
147.9 20.44 20
148.0 23.97 23
148.1 18.91 18
148.2 9.27 9
148.4 4.83 4
148.5 12.7 12
148.6 20.5 20
148.7 23.13 23
148.8 20.03 20
149.1 14.28 14
149.2 19.0 18
149.3 22.05 22
149.4 20.06 20
149.5 13.81 13
149.7 8.43 8
149.8 14.41 14
149.9 20.55 20
150.0 20.36 20
150.1 13.32 13
150.3 5.27 5
150.4 12.31 12
150.5 20.71 20
150.6 23.01 22
150.7 16.78 16
150.8 6.58 6
151.0 3.39 3
151.1 12.41 12
151.2 19.93 19
151.3 20.31 20
151.4 14.59 14
151.6 7.53 7
151.7 11.57 11
151.8 16.56 16
151.9 17.61 17
152.0 13.32 13
152.2 4.66 4
152.3 8.5 8
152.4 15.76 15
152.5 20.3 20
152.6 18.58 18
152.7 12.77 12
152.9 10.99 10
153.0 17.4 17
153.1 22.14 22
153.2 20.35 20
153.3 13.15 13
153.5 6.78 6
153.6 13.52 13
153.7 20.92 20
153.8 22.28 22
153.9 16.18 16
154.2 9.1 9
154.3 17.25 17
154.4 22.67 22
154.5 21.59 21
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599.3 21.31 21
599.4 13.67 13
//
system version 2.2.6-SNAPSHOT
