MassBank Record: MSBNK-RIKEN_NPDepo-NGA00224
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00224
RECORD_TITLE: 1alpha-Hydroxy-1-desoxotamirin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0ufr-1590000000-956d62366c42fa4be393
PK$NUM_PEAK: 214
PK$PEAK: m/z int. rel.int.
80.4 2.11 2
80.5 3.3 3
80.6 4.68 4
80.7 6.48 6
80.8 9.2 9
80.9 12.65 12
81.0 15.34 15
81.1 15.53 15
81.2 12.78 12
81.3 8.27 8
81.4 3.91 3
92.5 3.39 3
92.6 4.83 4
92.7 7.08 7
92.8 9.38 9
92.9 10.3 10
93.0 9.35 9
93.1 7.4 7
93.2 5.36 5
93.3 3.45 3
94.6 1.95 1
94.7 3.77 3
94.8 6.18 6
94.9 7.81 7
95.0 7.32 7
95.1 5.03 5
96.6 3.73 3
96.7 5.6 5
96.8 8.53 8
96.9 10.67 10
97.0 10.21 10
97.1 7.18 7
97.2 3.49 3
106.8 5.4 5
106.9 7.18 7
107.0 8.91 8
107.1 9.7 9
107.2 8.68 8
107.3 5.94 5
107.4 2.89 2
122.4 0.61 0
122.5 2.65 2
122.6 7.99 7
122.7 15.09 15
122.8 20.03 20
122.9 20.01 19
123.0 16.33 16
123.1 12.86 12
123.2 11.78 11
123.3 11.64 11
123.4 9.85 9
123.5 6.03 6
123.6 2.21 2
132.4 2.18 2
132.5 3.03 3
132.6 6.28 6
132.7 13.65 13
132.8 23.31 23
132.9 30.33 30
133.0 32.63 32
133.1 33.5 33
133.2 35.03 34
133.3 32.92 32
133.4 23.09 23
133.5 9.61 9
133.6 1.01 1
142.4 1.63 1
142.5 3.87 3
142.6 7.0 6
142.7 9.46 9
142.8 10.09 10
142.9 9.84 9
143.0 10.77 10
143.1 12.89 12
143.2 13.47 13
143.3 10.49 10
143.4 5.4 5
143.5 1.37 1
150.5 1.99 1
150.6 3.88 3
150.7 8.02 8
150.8 14.76 14
150.9 21.99 21
151.0 26.75 26
151.1 28.55 28
151.2 28.54 28
151.3 26.18 26
151.4 19.85 19
151.5 10.81 10
151.6 3.32 3
158.7 2.49 2
158.8 4.31 4
158.9 6.3 6
159.0 7.51 7
159.1 7.24 7
159.2 5.6 5
159.3 3.34 3
172.5 0.85 0
172.6 2.86 2
172.7 7.51 7
172.8 14.51 14
172.9 21.18 21
173.0 23.8 23
173.1 20.98 20
173.2 14.87 14
173.3 8.62 8
173.4 4.12 4
182.4 2.56 2
182.5 3.41 3
182.6 5.88 5
182.7 12.26 12
182.8 21.54 21
182.9 30.28 30
183.0 36.54 36
183.1 39.71 39
183.2 37.41 37
183.3 27.73 27
183.4 14.17 14
183.5 3.66 3
186.9 4.47 4
187.0 5.97 5
187.1 7.43 7
187.2 8.17 8
187.3 7.65 7
187.4 5.74 5
187.5 3.17 3
188.6 2.23 2
188.7 4.68 4
188.8 6.69 6
188.9 6.8 6
189.0 5.19 5
189.1 3.37 3
200.2 1.96 1
200.3 4.31 4
200.4 7.87 7
200.5 11.75 11
200.6 16.22 16
200.7 24.57 24
200.8 40.86 40
200.9 64.15 64
201.0 86.33 86
201.1 98.82 98
201.2 100.0 99
201.3 91.92 91
201.4 73.71 73
201.5 45.64 45
201.6 16.86 16
201.7 0.62 0
210.6 2.02 2
210.7 3.46 3
210.8 5.07 5
210.9 6.65 6
211.0 8.59 8
211.1 10.88 10
211.2 12.03 12
211.3 10.37 10
211.4 6.4 6
211.5 2.55 2
218.4 2.22 2
218.5 3.55 3
218.6 5.81 5
218.7 9.71 9
218.8 15.95 15
218.9 23.08 23
219.0 27.36 27
219.1 26.35 26
219.2 21.33 21
219.3 15.05 15
219.4 9.05 9
219.5 4.05 4
228.1 1.59 1
228.2 4.19 4
228.3 7.22 7
228.4 8.32 8
228.5 7.02 7
228.6 7.49 7
228.7 15.87 15
228.8 34.1 34
228.9 56.86 56
229.0 74.97 74
229.1 82.22 82
229.2 78.34 78
229.3 65.63 65
229.4 46.03 45
229.5 23.88 23
229.6 6.73 6
229.7 0.02 0
246.4 2.07 2
246.5 3.11 3
246.6 6.79 6
246.7 17.11 17
246.8 33.11 33
246.9 49.39 49
247.0 59.62 59
247.1 62.0 61
247.2 58.96 58
247.3 51.65 51
247.4 38.76 38
247.5 21.63 21
247.6 6.57 6
247.7 0.6 0
264.5 0.71 0
264.6 3.1 3
264.7 8.61 8
264.8 16.09 16
264.9 23.05 23
265.0 28.13 28
265.1 31.38 31
265.2 32.54 32
265.3 30.53 30
265.4 24.67 24
265.5 15.93 15
265.6 7.08 7
265.7 1.2 1
//
