MassBank Record: MSBNK-RIKEN_NPDepo-NGA02662
ACCESSION: MSBNK-RIKEN_NPDepo-NGA02662
RECORD_TITLE: Ginkgolide B; 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: Diterpenoids, Ginkgolide diterpenoids
CH$NAME: Ginkgolide B
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C20H24O10
CH$EXACT_MASS: 424.4083
CH$SMILES: C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O
CH$IUPAC: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
CH$LINK: CAS
15291-77-7
CH$LINK: CHEMSPIDER
21105603 16498780 23089477 23498733 17471790 26232116
CH$LINK: INCHIKEY
SQOJOAFXDQDRGF-MMQTXUMRSA-N
CH$LINK: COMPTOX
DTXSID70873223
CH$LINK: PUBCHEM
CID:6324617
AC$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$SPLASH: splash10-01t9-0059400000-eb8b4c921994bf9e6a8f
PK$NUM_PEAK: 334
PK$PEAK: m/z int. rel.int.
112.7 2.29 2
112.8 3.55 3
112.9 4.75 4
113.0 5.15 5
113.1 4.49 4
113.2 3.25 3
186.6 1.08 1
186.7 2.33 2
186.8 4.66 4
186.9 6.97 6
187.0 7.62 7
187.1 6.14 6
187.2 3.76 3
187.3 1.87 1
224.7 2.19 2
224.8 3.26 3
224.9 4.45 4
225.0 5.48 5
225.1 5.7 5
225.2 4.59 4
225.3 2.54 2
228.7 1.87 1
228.8 3.4 3
228.9 5.45 5
229.0 7.1 7
229.1 7.6 7
229.2 6.95 6
229.3 5.43 5
229.4 3.38 3
230.7 1.43 1
230.8 2.78 2
230.9 4.57 4
231.0 5.82 5
231.1 5.55 5
231.2 3.84 3
231.3 1.84 1
242.7 1.97 1
242.8 3.77 3
242.9 6.17 6
243.0 7.57 7
243.1 6.92 6
243.2 4.83 4
243.3 2.73 2
246.6 0.99 0
246.7 2.46 2
246.8 4.61 4
246.9 6.56 6
247.0 7.28 7
247.1 6.64 6
247.2 5.33 5
247.3 3.87 3
247.4 2.46 2
252.8 2.7 2
252.9 4.0 3
253.0 5.6 5
253.1 6.95 6
253.2 7.14 7
253.3 5.67 5
253.4 3.18 3
256.4 1.6 1
256.5 2.85 2
256.6 4.61 4
256.7 6.86 6
256.8 9.69 9
256.9 12.65 12
257.0 14.55 14
257.1 14.35 14
257.2 12.27 12
257.3 9.22 9
257.4 5.93 5
257.5 2.9 2
258.5 1.03 1
258.6 2.17 2
258.7 4.31 4
258.8 7.07 7
258.9 9.68 9
259.0 11.35 11
259.1 11.35 11
259.2 9.22 9
259.3 5.58 5
259.4 2.13 2
260.5 1.74 1
260.6 2.84 2
260.7 4.02 4
260.8 4.89 4
260.9 5.31 5
261.0 5.43 5
261.1 5.31 5
261.2 4.68 4
261.3 3.35 3
270.5 1.19 1
270.6 2.65 2
270.7 4.12 4
270.8 5.19 5
270.9 6.32 6
271.0 8.35 8
271.1 10.68 10
271.2 11.22 11
271.3 8.67 8
271.4 4.36 4
271.5 0.94 0
274.4 2.52 2
274.5 3.33 3
274.6 4.21 4
274.7 6.49 6
274.8 11.3 11
274.9 18.0 17
275.0 24.17 24
275.1 27.04 27
275.2 24.81 24
275.3 17.78 17
275.4 8.9 8
275.5 2.08 2
286.6 1.0 0
286.7 2.43 2
286.8 5.05 5
286.9 8.46 8
287.0 11.74 11
287.1 13.65 13
287.2 13.01 12
287.3 9.67 9
287.4 5.11 5
287.5 1.48 1
288.4 0.76 0
288.5 1.91 1
288.6 3.97 3
288.7 6.57 6
288.8 8.85 8
288.9 10.24 10
289.0 10.89 10
289.1 11.28 11
289.2 11.28 11
289.3 10.0 9
289.4 6.96 6
289.5 3.18 3
296.6 1.53 1
296.7 2.87 2
296.8 4.87 4
296.9 6.8 6
297.0 7.97 7
297.1 8.26 8
297.2 7.64 7
297.3 5.9 5
297.4 3.34 3
298.6 1.74 1
298.7 2.99 2
298.8 4.67 4
298.9 6.38 6
299.0 7.96 7
299.1 9.41 9
299.2 10.03 10
299.3 8.61 8
299.4 5.24 5
299.5 1.77 1
300.6 1.89 1
300.7 3.27 3
300.8 4.57 4
300.9 5.17 5
301.0 4.94 4
301.1 4.1 4
301.2 2.91 2
302.6 2.0 1
302.7 3.27 3
302.8 4.81 4
302.9 6.05 6
303.0 6.26 6
303.1 5.32 5
303.2 3.88 3
303.3 2.64 2
304.4 1.03 1
304.5 2.15 2
304.6 4.06 4
304.7 6.92 6
304.8 10.53 10
304.9 14.03 14
305.0 16.37 16
305.1 17.09 17
305.2 16.14 16
305.3 13.28 13
305.4 8.71 8
305.5 4.1 4
305.6 0.8 0
314.5 1.57 1
314.6 3.13 3
314.7 5.34 5
314.8 8.37 8
314.9 11.96 11
315.0 15.09 15
315.1 16.45 16
315.2 15.08 15
315.3 11.1 11
315.4 6.04 6
315.5 1.99 1
318.6 2.17 2
318.7 3.44 3
318.8 4.75 4
318.9 5.79 5
319.0 6.37 6
319.1 6.17 6
319.2 4.89 4
319.3 2.91 2
320.6 2.22 2
320.7 3.41 3
320.8 5.31 5
320.9 7.65 7
321.0 10.1 10
321.1 12.36 12
321.2 13.67 13
321.3 12.62 12
321.4 8.7 8
321.5 3.66 3
324.5 1.27 1
324.6 3.03 3
324.7 5.91 5
324.8 8.97 8
324.9 10.78 10
325.0 10.98 10
325.1 10.32 10
325.2 9.2 9
325.3 7.13 7
325.4 4.09 4
325.5 1.28 1
326.6 2.54 2
326.7 3.64 3
326.8 4.99 4
326.9 6.46 6
327.0 7.48 7
327.1 7.72 7
327.2 7.36 7
327.3 6.37 6
327.4 4.5 4
327.5 2.13 2
332.6 1.99 1
332.7 3.09 3
332.8 5.37 5
332.9 8.46 8
333.0 10.75 10
333.1 10.69 10
333.2 8.18 8
333.3 4.62 4
333.4 1.69 1
336.6 1.94 1
336.7 3.48 3
336.8 5.43 5
336.9 7.26 7
337.0 8.2 8
337.1 7.48 7
337.2 5.07 5
337.3 2.2 2
342.4 1.26 1
342.5 2.15 2
342.6 4.16 4
342.7 7.64 7
342.8 11.56 11
342.9 14.61 14
343.0 16.87 16
343.1 18.94 18
343.2 19.86 19
343.3 17.56 17
343.4 11.79 11
343.5 5.14 5
343.6 0.77 0
360.3 1.7 1
360.4 3.52 3
360.5 7.63 7
360.6 14.99 14
360.7 26.42 26
360.8 41.91 41
360.9 59.37 59
361.0 74.74 74
361.1 84.44 84
361.2 86.83 86
361.3 80.08 79
361.4 61.99 61
361.5 35.46 35
361.6 10.82 10
361.7 0.0 0
370.5 1.64 1
370.6 2.95 2
370.7 5.25 5
370.8 8.41 8
370.9 11.5 11
371.0 13.51 13
371.1 14.19 14
371.2 13.56 13
371.3 11.2 11
371.4 7.1 7
371.5 2.78 2
378.7 1.91 1
378.8 3.34 3
378.9 5.03 5
379.0 6.36 6
379.1 6.77 6
379.2 6.12 6
379.3 4.63 4
379.4 2.73 2
388.5 2.82 2
388.6 3.54 3
388.7 5.2 5
388.8 8.33 8
388.9 11.99 11
389.0 14.38 14
389.1 14.48 14
389.2 12.62 12
389.3 9.54 9
389.4 5.92 5
389.5 2.7 2
406.5 1.87 1
406.6 2.91 2
406.7 3.81 3
406.8 4.81 4
406.9 6.45 6
407.0 8.87 8
407.1 11.11 11
407.2 11.66 11
407.3 9.78 9
407.4 6.16 6
407.5 2.62 2
424.2 0.97 0
424.3 3.13 3
424.4 7.15 7
424.5 12.48 12
424.6 19.07 19
424.7 29.12 29
424.8 45.22 45
424.9 65.84 65
425.0 85.04 84
425.1 97.35 97
425.2 100.0 99
425.3 90.33 90
425.4 66.76 66
425.5 35.23 35
425.6 8.72 8
425.7 0.0 0
//
