MassBank Record: MSBNK-RIKEN_NPDepo-NGA02278
ACCESSION: MSBNK-RIKEN_NPDepo-NGA02278
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?/m0/s1
CH$LINK: CAS
60362-95-0
CH$LINK: CHEMSPIDER
8168554
CH$LINK: INCHIKEY
KNEQPJSDSYNUHP-FPTOJPCGSA-N
CH$LINK: COMPTOX
DTXSID50433869
CH$LINK: PUBCHEM
CID:9992972
AC$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$SPLASH: splash10-0udi-1950000000-d35b795f253da8e9fc6e
PK$NUM_PEAK: 356
PK$PEAK: m/z int. rel.int.
80.3 1.38 1
80.4 4.12 4
80.5 7.88 7
80.6 11.13 11
80.7 13.92 13
80.8 18.47 18
80.9 24.71 24
81.0 29.46 29
81.1 30.37 30
81.2 28.53 28
81.3 25.09 25
81.4 18.99 18
81.5 10.53 10
81.6 3.0 2
90.5 0.78 0
90.6 2.96 2
90.7 7.12 7
90.8 11.87 11
90.9 14.8 14
91.0 14.1 14
91.1 10.24 10
91.2 5.75 5
91.3 2.91 2
92.4 1.23 1
92.5 2.79 2
92.6 5.51 5
92.7 8.96 8
92.8 12.37 12
92.9 15.02 15
93.0 16.45 16
93.1 16.46 16
93.2 14.82 14
93.3 11.3 11
93.4 6.55 6
93.5 2.39 2
94.5 1.77 1
94.6 3.01 3
94.7 4.31 4
94.8 5.82 5
94.9 7.64 7
95.0 9.18 9
95.1 9.64 9
95.2 8.78 8
95.3 6.81 6
95.4 4.2 4
96.5 1.58 1
96.6 2.62 2
96.7 4.93 4
96.8 8.91 8
96.9 12.89 12
97.0 14.54 14
97.1 13.1 13
97.2 9.84 9
97.3 6.29 6
97.4 3.28 3
104.6 3.37 3
104.7 4.37 4
104.8 6.91 6
104.9 10.47 10
105.0 12.56 12
105.1 11.78 11
105.2 9.88 9
105.3 8.86 8
105.4 7.97 7
105.5 5.56 5
105.6 2.46 2
106.7 3.47 3
106.8 6.99 6
106.9 13.68 13
107.0 20.88 20
107.1 25.07 25
107.2 23.93 23
107.3 17.56 17
107.4 8.89 8
107.5 2.14 2
108.6 0.9 0
108.7 3.04 3
108.8 6.02 6
108.9 8.07 8
109.0 8.24 8
109.1 7.47 7
109.2 6.89 6
109.3 6.17 6
109.4 4.48 4
109.5 2.24 2
122.3 1.0 0
122.4 3.23 3
122.5 5.69 5
122.6 6.64 6
122.7 6.55 6
122.8 8.23 8
122.9 13.34 13
123.0 20.05 20
123.1 24.75 24
123.2 24.91 24
123.3 20.27 20
123.4 12.75 12
123.5 5.55 5
123.6 1.41 1
130.7 3.11 3
130.8 4.87 4
130.9 7.55 7
131.0 9.53 9
131.1 9.62 9
131.2 8.27 8
131.3 6.48 6
131.4 4.65 4
131.5 2.79 2
132.2 0.4 0
132.3 1.8 1
132.4 5.61 5
132.5 12.05 12
132.6 19.62 19
132.7 27.35 27
132.8 36.63 36
132.9 48.83 48
133.0 60.42 60
133.1 64.8 64
133.2 59.88 59
133.3 48.95 48
133.4 34.85 34
133.5 19.03 19
133.6 5.42 5
133.7 0.0 0
142.2 1.26 1
142.3 2.87 2
142.4 4.73 4
142.5 6.3 6
142.6 8.08 8
142.7 10.97 10
142.8 15.75 15
142.9 22.59 22
143.0 29.64 29
143.1 33.03 32
143.2 30.21 30
143.3 22.57 22
143.4 13.69 13
143.5 6.25 6
143.6 1.6 1
144.5 0.94 0
144.6 2.78 2
144.7 6.69 6
144.8 10.82 10
144.9 13.04 13
145.0 12.57 12
145.1 10.32 10
145.2 7.76 7
145.3 5.61 5
145.4 3.74 3
148.7 3.23 3
148.8 4.37 4
148.9 6.83 6
149.0 9.01 9
149.1 8.95 8
149.2 6.47 6
149.3 3.24 3
150.3 1.06 1
150.4 3.25 3
150.5 6.79 6
150.6 10.72 10
150.7 15.08 15
150.8 20.0 19
150.9 24.65 24
151.0 27.58 27
151.1 28.74 28
151.2 28.82 28
151.3 26.54 26
151.4 19.81 19
151.5 10.05 10
151.6 2.13 2
156.8 3.46 3
156.9 5.74 5
157.0 9.11 9
157.1 11.56 11
157.2 11.08 11
157.3 7.92 7
157.4 4.26 4
158.4 1.21 1
158.5 3.11 3
158.6 5.99 5
158.7 8.75 8
158.8 11.22 11
158.9 14.03 14
159.0 16.42 16
159.1 16.53 16
159.2 14.01 13
159.3 10.29 10
159.4 6.46 6
159.5 2.94 2
167.8 2.1 2
167.9 4.28 4
168.0 6.83 6
168.1 7.68 7
168.2 6.12 6
168.3 3.39 3
168.6 2.03 2
168.7 3.7 3
168.8 4.75 4
168.9 4.9 4
169.0 4.56 4
169.1 4.06 4
169.2 3.39 3
169.3 2.62 2
169.4 1.87 1
169.5 1.25 1
169.6 0.82 0
169.7 0.65 0
169.8 0.65 0
169.9 0.68 0
170.0 0.7 0
170.1 0.71 0
170.2 0.66 0
170.3 0.56 0
170.4 0.56 0
170.5 0.87 0
170.6 1.57 1
170.7 2.41 2
170.8 3.02 3
170.9 3.29 3
171.0 3.58 3
171.1 4.13 4
171.2 4.44 4
171.3 3.85 3
172.3 1.94 1
172.4 3.41 3
172.5 4.96 4
172.6 6.77 6
172.7 12.06 12
172.8 22.3 22
172.9 34.1 34
173.0 41.55 41
173.1 41.69 41
173.2 36.53 36
173.3 29.09 29
173.4 20.13 20
173.5 10.34 10
173.6 2.54 2
180.8 2.99 2
180.9 4.49 4
181.0 6.2 6
181.1 6.58 6
181.2 4.89 4
181.3 2.33 2
182.3 0.78 0
182.4 3.52 3
182.5 8.68 8
182.6 15.97 15
182.7 24.81 24
182.8 35.8 35
182.9 47.56 47
183.0 55.26 55
183.1 56.12 56
183.2 53.01 52
183.3 48.42 48
183.4 39.31 39
183.5 23.72 23
183.6 7.59 7
183.7 0.36 0
188.6 1.32 1
188.7 3.07 3
188.8 6.75 6
188.9 9.95 9
189.0 10.43 10
189.1 8.66 8
189.2 6.79 6
189.3 5.63 5
189.4 4.3 4
189.5 2.42 2
191.1 1.62 1
191.2 3.21 3
191.3 4.55 4
191.4 4.67 4
191.5 3.39 3
192.6 2.33 2
192.7 4.08 4
192.8 5.8 5
192.9 7.06 7
193.0 8.0 7
193.1 8.94 8
193.2 9.39 9
193.3 8.18 8
193.4 5.19 5
193.5 2.04 2
200.2 0.12 0
200.3 0.65 0
200.4 5.36 5
200.5 13.14 13
200.6 21.07 21
200.7 30.44 30
200.8 47.02 46
200.9 70.76 70
201.0 91.28 91
201.1 100.0 99
201.2 99.69 99
201.3 94.63 94
201.4 80.28 80
201.5 52.76 52
201.6 21.32 21
201.7 1.9 1
210.6 0.63 0
210.7 3.64 3
210.8 11.75 11
210.9 20.35 20
211.0 23.79 23
211.1 20.7 20
211.2 14.6 14
211.3 9.04 9
211.4 4.9 4
211.5 2.21 2
218.6 1.65 1
218.7 3.45 3
218.8 7.2 7
218.9 12.46 12
219.0 17.12 17
219.1 19.16 19
219.2 17.97 17
219.3 14.01 13
219.4 8.49 8
219.5 3.4 3
228.3 1.08 1
228.4 2.44 2
228.5 6.31 6
228.6 12.09 12
228.7 19.53 19
228.8 30.18 30
228.9 44.96 44
229.0 60.56 60
229.1 71.71 71
229.2 75.37 75
229.3 69.62 69
229.4 52.68 52
229.5 28.28 28
229.6 7.48 7
229.7 0.02 0
246.6 2.44 2
246.7 4.05 4
246.8 7.62 7
246.9 13.89 13
247.0 20.92 20
247.1 25.72 25
247.2 26.23 26
247.3 22.05 22
247.4 14.46 14
247.5 6.42 6
247.6 1.24 1
264.6 1.67 1
264.7 3.41 3
264.8 7.31 7
264.9 12.04 12
265.0 14.08 14
265.1 12.37 12
265.2 10.03 10
265.3 9.36 9
265.4 8.65 8
265.5 5.89 5
265.6 2.41 2
//
