MassBank Record: MSBNK-RIKEN_NPDepo-NGA00222
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00222
RECORD_TITLE: 1alpha-Hydroxy-1-desoxotamirin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids
CH$NAME: 1alpha-Hydroxy-1-desoxotamirin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C15H20O4
CH$EXACT_MASS: 264.3243
CH$SMILES: C=C1C(=O)O[C@H]2CC(=C)[C@H](O)CC/C(C)=C/[C@@H](O)C12
CH$IUPAC: InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14?/m1/s1
CH$LINK: CAS
3162-56-9
CH$LINK: CHEMSPIDER
8168554
CH$LINK: INCHIKEY
KNEQPJSDSYNUHP-LPQMCWESSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-2910000000-1fe13bb58f6500684a5e
PK$NUM_PEAK: 505
PK$PEAK: m/z int. rel.int.
66.4 2.35 2
66.5 4.58 4
66.6 8.69 8
66.7 13.43 13
66.8 16.66 16
66.9 17.14 17
67.0 15.15 15
67.1 11.73 11
67.2 7.88 7
67.3 4.6 4
78.5 1.97 1
78.6 3.53 3
78.7 5.41 5
78.8 7.1 7
78.9 8.62 8
79.0 10.03 10
79.1 10.58 10
79.2 9.38 9
79.3 6.67 6
79.4 3.77 3
80.4 3.55 3
80.5 5.47 5
80.6 13.38 13
80.7 29.98 29
80.8 52.96 52
80.9 74.6 74
81.0 85.98 85
81.1 81.69 81
81.2 62.89 62
81.3 37.47 37
81.4 15.66 15
81.5 3.83 3
90.4 2.39 2
90.5 3.51 3
90.6 6.76 6
90.7 12.76 12
90.8 20.39 20
90.9 27.33 27
91.0 31.26 31
91.1 30.76 30
91.2 25.74 25
91.3 17.73 17
91.4 9.63 9
91.5 3.92 3
92.3 2.0 1
92.4 3.7 3
92.5 5.72 5
92.6 7.67 7
92.7 10.58 10
92.8 16.61 16
92.9 25.81 25
93.0 33.74 33
93.1 34.49 34
93.2 26.68 26
93.3 15.0 14
93.4 5.56 5
93.5 1.33 1
94.5 2.69 2
94.6 4.33 4
94.7 6.69 6
94.8 12.28 12
94.9 21.17 21
95.0 29.1 29
95.1 30.41 30
95.2 23.69 23
95.3 13.13 13
95.4 4.42 4
96.0 1.53 1
96.1 3.39 3
96.2 6.29 6
96.3 8.73 8
96.4 9.06 9
96.5 7.62 7
96.6 6.63 6
96.7 7.68 7
96.8 10.31 10
96.9 13.03 13
97.0 14.33 14
97.1 13.11 13
97.2 9.55 9
97.3 5.43 5
97.4 2.55 2
104.3 3.08 3
104.4 5.01 5
104.5 7.86 7
104.6 11.36 11
104.7 15.69 15
104.8 20.94 20
104.9 25.28 25
105.0 25.53 25
105.1 21.0 20
105.2 14.82 14
105.3 9.97 9
105.4 6.48 6
105.5 3.4 3
106.3 2.15 2
106.4 3.22 3
106.5 6.12 6
106.6 12.57 12
106.7 22.38 22
106.8 32.43 32
106.9 38.55 38
107.0 39.07 39
107.1 35.5 35
107.2 29.67 29
107.3 21.83 21
107.4 12.66 12
107.5 4.82 4
108.6 3.15 3
108.7 5.39 5
108.8 8.48 8
108.9 10.85 10
109.0 10.82 10
109.1 8.29 8
109.2 4.94 4
116.4 1.23 1
116.5 2.89 2
116.6 7.11 7
116.7 12.98 12
116.8 17.41 17
116.9 17.37 17
117.0 12.97 12
117.1 7.3 7
117.2 3.24 3
118.4 1.2 1
118.5 2.69 2
118.6 6.23 6
118.7 11.43 11
118.8 16.61 16
118.9 19.71 19
119.0 19.68 19
119.1 16.74 16
119.2 11.78 11
119.3 6.3 6
119.4 2.16 2
120.8 2.49 2
120.9 4.18 4
121.0 5.76 5
121.1 6.16 6
121.2 5.1 5
121.3 3.31 3
122.4 4.39 4
122.5 4.94 4
122.6 6.98 6
122.7 11.89 11
122.8 19.29 19
122.9 26.98 26
123.0 32.91 32
123.1 36.05 36
123.2 35.1 35
123.3 28.73 28
123.4 18.03 18
123.5 7.38 7
123.6 1.15 1
127.6 1.84 1
127.7 3.16 3
127.8 5.38 5
127.9 7.97 7
128.0 9.79 9
128.1 9.81 9
128.2 7.9 7
128.3 4.99 4
130.1 2.96 2
130.2 4.38 4
130.3 5.72 5
130.4 6.32 6
130.5 6.28 6
130.6 7.36 7
130.7 12.03 12
130.8 20.21 20
130.9 27.48 27
131.0 28.71 28
131.1 23.57 23
131.2 16.32 16
131.3 10.45 10
131.4 6.17 6
131.5 2.84 2
132.4 3.24 3
132.5 5.56 5
132.6 13.18 13
132.7 31.51 31
132.8 56.13 56
132.9 77.59 77
133.0 91.55 91
133.1 99.94 99
133.2 99.35 99
133.3 80.6 80
133.4 45.58 45
133.5 12.37 12
133.6 0.25 0
142.3 4.03 4
142.4 5.48 5
142.5 7.01 7
142.6 9.97 9
142.7 16.84 16
142.8 28.11 28
142.9 39.6 39
143.0 45.01 44
143.1 41.45 41
143.2 31.42 31
143.3 19.59 19
143.4 9.54 9
143.5 3.15 3
144.4 2.53 2
144.5 6.1 6
144.6 11.75 11
144.7 16.63 16
144.8 18.06 18
144.9 17.49 17
145.0 19.59 19
145.1 25.98 25
145.2 31.4 31
145.3 29.0 28
145.4 18.58 18
145.5 6.99 6
145.6 1.03 1
146.7 2.64 2
146.8 3.91 3
146.9 5.56 5
147.0 7.26 7
147.1 8.21 8
147.2 7.65 7
147.3 5.67 5
147.4 3.27 3
148.7 2.81 2
148.8 4.03 4
148.9 5.31 5
149.0 6.99 6
149.1 8.44 8
149.2 8.17 8
149.3 5.75 5
149.4 2.77 2
150.6 0.94 0
150.7 4.62 4
150.8 12.73 12
150.9 21.55 21
151.0 25.71 25
151.1 23.68 23
151.2 18.51 18
151.3 13.17 13
151.4 8.17 8
151.5 3.78 3
154.7 5.11 5
154.8 7.09 7
154.9 11.7 11
155.0 20.22 20
155.1 29.45 29
155.2 31.99 31
155.3 24.28 24
155.4 11.77 11
155.5 2.81 2
156.4 4.33 4
156.5 6.04 6
156.6 9.99 9
156.7 16.78 16
156.8 23.98 23
156.9 27.19 27
157.0 24.35 24
157.1 17.71 17
157.2 11.05 11
157.3 6.32 6
157.4 3.43 3
158.5 2.96 2
158.6 4.07 4
158.7 8.7 8
158.8 17.03 17
158.9 25.23 25
159.0 27.78 27
159.1 22.6 22
159.2 13.18 13
159.3 5.06 5
167.3 1.53 1
167.4 3.3 3
167.5 6.49 6
167.6 10.57 10
167.7 14.07 14
167.8 15.45 15
167.9 14.2 14
168.0 11.14 11
168.1 7.62 7
168.2 4.58 4
172.0 1.14 1
172.1 3.11 3
172.2 6.82 6
172.3 10.6 10
172.4 11.76 11
172.5 9.79 9
172.6 8.28 8
172.7 12.2 12
172.8 23.18 23
172.9 37.64 37
173.0 49.05 49
173.1 51.81 51
173.2 44.64 44
173.3 31.13 31
173.4 17.02 17
173.5 6.86 6
173.6 1.6 1
175.0 2.63 2
175.1 4.7 4
175.2 7.27 7
175.3 8.68 8
175.4 7.56 7
175.5 4.59 4
180.6 1.9 1
180.7 3.58 3
180.8 5.91 5
180.9 7.47 7
181.0 6.96 6
181.1 4.73 4
182.3 1.76 1
182.4 4.54 4
182.5 9.55 9
182.6 15.92 15
182.7 22.13 22
182.8 29.77 29
182.9 42.7 42
183.0 60.37 60
183.1 73.36 73
183.2 70.13 70
183.3 49.64 49
183.4 23.71 23
183.5 5.74 5
184.5 2.13 2
184.6 3.66 3
184.7 5.37 5
184.8 6.61 6
184.9 7.33 7
185.0 7.85 7
185.1 7.92 7
185.2 6.97 6
185.3 5.11 5
186.8 2.85 2
186.9 5.34 5
187.0 9.55 9
187.1 13.99 13
187.2 15.38 15
187.3 12.0 11
187.4 6.12 6
187.5 1.68 1
188.7 2.41 2
188.8 5.03 5
188.9 8.77 8
189.0 12.66 12
189.1 14.98 14
189.2 14.13 14
189.3 10.14 10
189.4 5.25 5
192.6 1.43 1
192.7 3.25 3
192.8 6.39 6
192.9 9.69 9
193.0 11.21 11
193.1 10.16 10
193.2 7.86 7
198.6 1.67 1
198.7 3.4 3
198.8 6.01 6
198.9 7.87 7
199.0 7.26 7
199.1 4.56 4
200.4 4.26 4
200.5 4.71 4
200.6 7.94 7
200.7 17.65 17
200.8 35.81 35
200.9 58.93 58
201.0 77.48 77
201.1 81.65 81
201.2 69.05 68
201.3 46.24 46
201.4 23.15 23
201.5 6.99 6
201.6 1.03 1
210.6 2.55 2
210.7 5.05 5
210.8 8.9 8
210.9 13.37 13
211.0 16.62 16
211.1 16.88 16
211.2 13.96 13
211.3 9.35 9
211.4 5.09 5
218.5 1.75 1
218.6 3.34 3
218.7 5.65 5
218.8 7.41 7
218.9 7.39 7
219.0 5.91 5
219.1 4.51 4
219.2 4.01 4
219.3 3.8 3
219.4 3.07 3
219.5 2.03 2
219.6 1.3 1
219.7 1.07 1
219.8 1.08 1
219.9 1.08 1
220.0 1.07 1
220.1 1.12 1
220.2 1.21 1
220.3 1.27 1
220.4 1.27 1
220.5 1.23 1
220.6 1.19 1
220.7 1.17 1
220.8 1.19 1
220.9 1.21 1
221.0 1.22 1
221.1 1.19 1
221.2 1.14 1
221.3 1.1 1
221.4 1.14 1
221.5 1.22 1
221.6 1.3 1
221.7 1.31 1
221.8 1.25 1
221.9 1.18 1
222.0 1.14 1
222.1 1.16 1
222.2 1.22 1
222.3 1.26 1
222.4 1.24 1
222.5 1.17 1
222.6 1.11 1
222.7 1.12 1
222.8 1.17 1
222.9 1.22 1
223.0 1.22 1
223.1 1.18 1
223.2 1.13 1
223.3 1.12 1
223.4 1.17 1
223.5 1.24 1
223.6 1.27 1
223.7 1.25 1
223.8 1.2 1
223.9 1.16 1
224.0 1.18 1
224.1 1.24 1
224.2 1.29 1
224.3 1.27 1
224.4 1.19 1
224.5 1.13 1
224.6 1.14 1
224.7 1.19 1
224.8 1.24 1
224.9 1.23 1
225.0 1.17 1
225.1 1.12 1
225.2 1.15 1
225.3 1.24 1
225.4 1.34 1
225.5 1.36 1
225.6 1.28 1
225.7 1.19 1
225.8 1.15 1
225.9 1.18 1
226.0 1.23 1
226.1 1.24 1
226.2 1.21 1
226.3 1.16 1
226.4 1.13 1
226.5 1.16 1
226.6 1.23 1
226.7 1.28 1
226.8 1.27 1
226.9 1.2 1
227.0 1.14 1
227.1 1.12 1
227.2 1.16 1
227.3 1.21 1
227.4 1.22 1
227.5 1.17 1
227.6 1.09 1
227.7 1.05 1
227.8 1.09 1
227.9 1.16 1
228.0 1.26 1
228.1 1.5 1
228.2 2.07 2
228.3 2.93 2
228.4 3.79 3
228.5 4.19 4
228.6 4.76 4
228.7 8.53 8
228.8 17.87 17
228.9 28.48 28
229.0 31.27 31
229.1 23.06 23
229.2 10.91 10
229.3 3.15 3
246.7 2.52 2
246.8 4.53 4
246.9 7.21 7
247.0 8.97 8
247.1 8.27 8
247.2 5.42 5
247.3 2.42 2
264.8 2.49 2
264.9 4.93 4
265.0 7.23 7
265.1 7.45 7
265.2 5.27 5
265.3 2.51 2
//
system version 2.2.8-SNAPSHOT
