MassBank Record: MSBNK-RIKEN_NPDepo-NGA00223
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00223
RECORD_TITLE: 1alpha-Hydroxy-1-desoxotamirin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0udi-1950000000-c7d5ae4db13fb89f1497
PK$NUM_PEAK: 320
PK$PEAK: m/z int. rel.int.
80.3 1.21 1
80.4 2.48 2
80.5 4.61 4
80.6 7.57 7
80.7 11.16 11
80.8 15.28 15
80.9 19.78 19
81.0 23.72 23
81.1 25.19 25
81.2 22.48 22
81.3 15.8 15
81.4 7.85 7
81.5 2.01 2
90.4 1.75 1
90.5 3.84 3
90.6 6.34 6
90.7 8.01 8
90.8 8.24 8
90.9 7.63 7
91.0 7.07 7
91.1 6.59 6
91.2 5.53 5
91.3 3.7 3
92.4 2.44 2
92.5 3.65 3
92.6 5.03 5
92.7 6.9 6
92.8 9.42 9
92.9 12.0 11
93.0 13.29 13
93.1 12.06 12
93.2 8.51 8
93.3 4.36 4
94.5 1.17 1
94.6 3.27 3
94.7 7.21 7
94.8 11.42 11
94.9 13.47 13
95.0 12.72 12
95.1 10.79 10
95.2 8.95 8
95.3 6.78 6
95.4 3.99 3
96.7 2.31 2
96.8 3.72 3
96.9 5.29 5
97.0 6.75 6
97.1 7.99 7
97.2 8.68 8
97.3 8.32 8
97.4 6.66 6
97.5 4.13 4
104.4 1.12 1
104.5 3.36 3
104.6 6.42 6
104.7 9.17 9
104.8 11.18 11
104.9 12.39 12
105.0 12.12 12
105.1 9.69 9
105.2 6.06 6
105.3 3.12 3
106.6 2.64 2
106.7 5.79 5
106.8 12.66 12
106.9 20.38 20
107.0 23.99 23
107.1 21.26 21
107.2 15.05 15
107.3 9.62 9
107.4 6.23 6
107.5 3.72 3
108.6 1.81 1
108.7 2.98 2
108.8 4.82 4
108.9 6.65 6
109.0 7.32 7
109.1 6.34 6
109.2 4.45 4
109.3 2.7 2
118.5 0.49 0
118.6 1.7 1
118.7 4.75 4
118.8 8.73 8
118.9 11.22 11
119.0 10.45 10
119.1 7.28 7
119.2 4.04 4
120.7 2.37 2
120.8 3.76 3
120.9 5.39 5
121.0 6.31 6
121.1 5.49 5
121.2 3.28 3
122.3 2.49 2
122.4 3.98 3
122.5 6.34 6
122.6 9.59 9
122.7 13.69 13
122.8 18.5 18
122.9 23.73 23
123.0 28.81 28
123.1 32.45 32
123.2 32.09 32
123.3 25.67 25
123.4 14.83 14
123.5 4.78 4
130.3 0.36 0
130.4 1.85 1
130.5 6.0 5
130.6 11.7 11
130.7 15.33 15
130.8 14.18 14
130.9 9.61 9
131.0 5.51 5
132.4 2.98 2
132.5 4.22 4
132.6 8.94 8
132.7 19.84 19
132.8 35.39 35
132.9 48.99 48
133.0 55.05 54
133.1 54.07 54
133.2 48.75 48
133.3 38.64 38
133.4 23.47 23
133.5 8.44 8
133.6 0.09 0
142.4 1.09 1
142.5 3.0 2
142.6 5.49 5
142.7 7.97 7
142.8 11.59 11
142.9 17.54 17
143.0 23.5 23
143.1 24.99 24
143.2 20.66 20
143.3 13.7 13
143.4 7.68 7
143.5 3.65 3
144.3 3.9 3
144.4 5.21 5
144.5 6.89 6
144.6 8.32 8
144.7 8.86 8
144.8 8.84 8
144.9 9.73 9
145.0 12.33 12
145.1 14.83 14
145.2 14.23 14
145.3 9.9 9
145.4 4.51 4
146.7 2.46 2
146.8 4.12 4
146.9 5.76 5
147.0 6.56 6
147.1 6.09 6
147.2 4.7 4
147.3 3.12 3
150.4 2.21 2
150.5 4.65 4
150.6 9.97 9
150.7 17.8 17
150.8 25.17 25
150.9 29.03 29
151.0 29.42 29
151.1 28.59 28
151.2 27.73 27
151.3 25.93 25
151.4 21.75 21
151.5 15.02 15
151.6 7.46 7
151.7 1.94 1
156.6 1.67 1
156.7 3.32 3
156.8 5.77 5
156.9 8.44 8
157.0 10.39 10
157.1 10.75 10
157.2 9.43 9
157.3 7.21 7
157.4 4.95 4
157.5 2.99 2
158.7 2.96 2
158.8 4.9 4
158.9 6.92 6
159.0 8.05 8
159.1 7.83 7
159.2 6.44 6
159.3 4.37 4
159.4 2.3 2
160.8 2.53 2
160.9 4.58 4
161.0 6.53 6
161.1 6.9 6
161.2 5.4 5
161.3 3.35 3
170.9 1.67 1
171.0 3.47 3
171.1 5.69 5
171.2 6.65 6
171.3 5.41 5
171.4 2.91 2
172.3 1.56 1
172.4 2.71 2
172.5 4.39 4
172.6 6.97 6
172.7 11.1 11
172.8 17.33 17
172.9 24.89 24
173.0 31.09 31
173.1 32.58 32
173.2 27.79 27
173.3 18.28 18
173.4 8.07 8
173.5 1.34 1
182.4 0.95 0
182.5 3.98 3
182.6 10.44 10
182.7 19.58 19
182.8 29.85 29
182.9 40.25 40
183.0 49.91 49
183.1 55.92 55
183.2 53.53 53
183.3 40.89 40
183.4 22.72 22
183.5 7.31 7
183.6 0.18 0
186.7 1.76 1
186.8 3.65 3
186.9 6.18 6
187.0 7.98 7
187.1 7.98 7
187.2 6.27 6
187.3 3.85 3
188.8 2.09 2
188.9 4.29 4
189.0 6.86 6
189.1 7.64 7
189.2 5.65 5
189.3 2.47 2
192.6 1.06 1
192.7 2.4 2
192.8 4.36 4
192.9 6.14 6
193.0 7.17 7
193.1 7.52 7
193.2 7.25 7
193.3 6.06 6
193.4 3.95 3
200.2 1.12 1
200.3 3.71 3
200.4 7.93 7
200.5 12.26 12
200.6 16.62 16
200.7 22.99 22
200.8 34.69 34
200.9 53.52 53
201.0 76.64 76
201.1 95.46 95
201.2 99.99 99
201.3 86.34 86
201.4 59.7 59
201.5 30.44 30
201.6 8.27 8
201.7 0.01 0
210.7 2.71 2
210.8 5.56 5
210.9 9.39 9
211.0 11.63 11
211.1 11.06 11
211.2 9.05 9
211.3 7.33 7
211.4 5.92 5
211.5 4.0 3
218.4 0.75 0
218.5 2.61 2
218.6 6.29 6
218.7 10.52 10
218.8 13.48 13
218.9 14.91 14
219.0 16.21 16
219.1 17.98 17
219.2 18.65 18
219.3 16.25 16
219.4 10.88 10
219.5 5.05 5
219.6 1.13 1
228.3 1.64 1
228.4 3.03 3
228.5 4.75 4
228.6 7.29 7
228.7 12.76 12
228.8 22.81 22
228.9 36.06 36
229.0 48.0 47
229.1 54.84 54
229.2 55.12 55
229.3 48.0 47
229.4 33.65 33
229.5 16.36 16
229.6 3.3 3
246.6 0.99 0
246.7 2.34 2
246.8 6.7 6
246.9 14.16 14
247.0 21.46 21
247.1 23.71 23
247.2 19.2 19
247.3 11.19 11
247.4 4.39 4
264.9 2.91 2
265.0 4.06 4
265.1 5.25 5
265.2 6.55 6
265.3 7.8 7
265.4 8.05 8
265.5 6.44 6
265.6 3.57 3
//
