MassBank Record: MSBNK-RIKEN_NPDepo-NGA04388
ACCESSION: MSBNK-RIKEN_NPDepo-NGA04388
RECORD_TITLE: Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Pregnanes
CH$NAME: Poststerone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C21H30O5
CH$EXACT_MASS: 362.4703
CH$SMILES: CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C
CH$IUPAC: InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1
CH$LINK: CAS
10162-99-9
CH$LINK: CHEMSPIDER
390412 4478702
CH$LINK: INCHIKEY
VNLQNGYIXVTQRR-BLMSIPRSSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-
PK$SPLASH: splash10-01vo-0069000000-4362b182603c78b11c09
PK$NUM_PEAK: 573
PK$PEAK: m/z int. rel.int.
226.9 3.58 3
227.0 10.03 10
227.1 19.17 19
227.2 22.81 22
227.3 17.24 17
227.4 8.04 8
272.6 3.79 3
272.7 4.95 4
272.8 13.28 13
272.9 33.94 33
273.0 60.68 60
273.1 75.64 75
273.2 66.44 66
273.3 40.14 40
273.4 15.09 15
273.5 2.42 2
273.7 2.35 2
273.8 4.58 4
273.9 5.98 5
274.0 6.37 6
274.1 5.79 5
274.2 4.83 4
274.3 4.44 4
274.4 5.0 4
274.5 5.96 5
274.6 6.4 6
274.7 5.91 5
274.8 4.9 4
274.9 4.16 4
275.0 4.21 4
275.1 4.97 4
275.2 5.77 5
275.3 5.91 5
275.4 5.29 5
275.5 4.53 4
275.6 4.45 4
275.7 5.25 5
275.8 6.28 6
275.9 6.6 6
276.0 5.93 5
276.1 4.84 4
276.2 4.28 4
276.3 4.69 4
276.4 5.66 5
276.5 6.3 6
276.6 5.98 5
276.7 4.94 4
276.8 4.13 4
276.9 4.35 4
277.0 5.45 5
277.1 6.49 6
277.2 6.48 6
277.3 5.35 5
277.4 4.01 4
277.5 3.59 3
277.6 4.36 4
277.7 5.48 5
277.8 5.93 5
277.9 5.38 5
278.0 4.41 4
278.1 3.89 3
278.2 4.27 4
278.3 5.27 5
278.4 6.14 6
278.5 6.18 6
278.6 5.35 5
278.7 4.39 4
278.8 4.14 4
278.9 4.79 4
279.0 5.78 5
279.1 6.28 6
279.2 5.91 5
279.3 4.98 4
279.4 4.19 4
279.5 4.15 4
279.6 4.9 4
279.7 5.88 5
279.8 6.31 6
279.9 5.88 5
280.0 5.1 5
280.1 4.79 4
280.2 5.2 5
280.3 5.84 5
280.4 5.94 5
280.5 5.3 5
280.6 4.46 4
280.7 4.23 4
280.8 4.8 4
280.9 5.64 5
281.0 6.06 6
281.1 5.82 5
281.2 5.17 5
281.3 4.67 4
281.4 4.81 4
281.5 5.54 5
281.6 6.23 6
281.7 6.16 6
281.8 5.31 5
281.9 4.4 4
282.0 4.18 4
282.1 4.76 4
282.2 5.57 5
282.3 5.91 5
282.4 5.55 5
282.5 4.88 4
282.6 4.54 4
282.7 4.89 4
282.8 5.61 5
282.9 5.95 5
283.0 5.52 5
283.1 4.74 4
283.2 4.41 4
283.3 4.89 4
283.4 5.83 5
283.5 6.51 6
283.6 6.4 6
283.7 5.59 5
283.8 4.68 4
283.9 4.28 4
284.0 4.57 4
284.1 5.07 5
284.2 5.15 5
284.3 4.76 4
284.4 4.56 4
284.5 5.06 5
284.6 6.06 6
284.7 6.87 6
284.8 6.97 6
284.9 6.32 6
285.0 5.29 5
285.1 4.53 4
285.2 4.53 4
285.3 5.21 5
285.4 5.95 5
285.5 6.13 6
285.6 5.57 5
285.7 4.68 4
285.8 4.14 4
285.9 4.41 4
286.0 5.26 5
286.1 5.92 5
286.2 5.77 5
286.3 4.98 4
286.4 4.37 4
286.5 4.62 4
286.6 5.53 5
286.7 6.28 6
286.8 6.22 6
286.9 5.41 5
287.0 4.56 4
287.1 4.42 4
287.2 5.17 5
287.3 6.24 6
287.4 6.77 6
287.5 6.3 6
287.6 5.18 5
287.7 4.38 4
287.8 4.57 4
287.9 5.52 5
288.0 6.3 6
288.1 6.24 6
288.2 5.41 5
288.3 4.54 4
288.4 4.36 4
288.5 5.09 5
288.6 6.1 6
288.7 6.41 6
288.8 5.56 5
288.9 4.15 4
289.0 3.4 3
289.1 3.97 3
289.2 5.41 5
289.3 6.57 6
289.4 6.56 6
289.5 5.4 5
289.6 4.03 4
289.7 3.54 3
289.8 4.28 4
289.9 5.6 5
290.0 6.37 6
290.1 6.03 6
290.2 5.09 5
290.3 4.58 4
290.4 4.97 4
290.5 5.77 5
290.6 6.07 6
290.7 5.51 5
290.8 4.59 4
290.9 4.13 4
291.0 4.46 4
291.1 5.22 5
291.2 5.77 5
291.3 5.63 5
291.4 4.87 4
291.5 4.14 4
291.6 4.26 4
291.7 5.3 5
291.8 6.4 6
291.9 6.61 6
292.0 5.79 5
292.1 4.72 4
292.2 4.29 4
292.3 4.77 4
292.4 5.62 5
292.5 6.02 6
292.6 5.63 5
292.7 4.89 4
292.8 4.55 4
292.9 4.98 4
293.0 5.85 5
293.1 6.4 6
293.2 6.13 6
293.3 5.27 5
293.4 4.51 4
293.5 4.43 4
293.6 5.09 5
293.7 6.03 6
293.8 6.55 6
293.9 6.22 6
294.0 5.3 5
294.1 4.5 4
294.2 4.42 4
294.3 5.07 5
294.4 5.88 5
294.5 6.13 6
294.6 5.53 5
294.7 4.63 4
294.8 4.34 4
294.9 5.02 5
295.0 6.0 5
295.1 6.33 6
295.2 5.77 5
295.3 4.94 4
295.4 4.58 4
295.5 4.95 4
295.6 5.7 5
295.7 6.2 6
295.8 6.02 6
295.9 5.19 5
296.0 4.32 4
296.1 4.15 4
296.2 4.88 4
296.3 5.88 5
296.4 6.22 6
296.5 5.63 5
296.6 4.76 4
296.7 4.5 4
296.8 5.13 5
296.9 6.09 6
297.0 6.49 6
297.1 5.93 5
297.2 4.85 4
297.3 4.11 4
297.4 4.29 4
297.5 5.19 5
297.6 6.0 5
297.7 5.98 5
297.8 5.12 5
297.9 4.2 4
298.0 4.09 4
298.1 4.91 4
298.2 5.91 5
298.3 6.23 6
298.4 5.69 5
298.5 4.84 4
298.6 4.45 4
298.7 4.9 4
298.8 5.76 5
298.9 6.23 6
299.0 5.85 5
299.1 4.96 4
299.2 4.36 4
299.3 4.61 4
299.4 5.51 5
299.5 6.29 6
299.6 6.26 6
299.7 5.45 5
299.8 4.58 4
299.9 4.47 4
300.0 5.25 5
300.1 6.29 6
300.2 6.67 6
300.3 5.99 5
300.4 4.7 4
300.5 3.79 3
300.6 4.05 4
300.7 5.42 5
300.8 7.01 7
300.9 7.65 7
301.0 6.85 6
301.1 5.41 5
301.2 4.65 4
301.3 5.12 5
301.4 6.02 6
301.5 6.23 6
301.6 5.5 5
301.7 4.52 4
301.8 4.17 4
301.9 4.72 4
302.0 5.71 5
302.1 6.31 6
302.2 6.0 5
302.3 5.07 5
302.4 4.33 4
302.5 4.45 4
302.6 5.34 5
302.7 6.21 6
302.8 6.27 6
302.9 5.52 5
303.0 4.73 4
303.1 4.71 4
303.2 5.46 5
303.3 6.2 6
303.4 6.23 6
303.5 5.55 5
303.6 4.75 4
303.7 4.43 4
303.8 4.82 4
303.9 5.71 5
304.0 6.48 6
304.1 6.51 6
304.2 5.78 5
304.3 5.02 5
304.4 4.93 4
304.5 5.39 5
304.6 5.7 5
304.7 5.41 5
304.8 4.73 4
304.9 4.2 4
305.0 4.22 4
305.1 4.82 4
305.2 5.57 5
305.3 5.94 5
305.4 5.68 5
305.5 5.07 5
305.6 4.6 4
305.7 4.66 4
305.8 5.21 5
305.9 5.69 5
306.0 5.53 5
306.1 4.73 4
306.2 3.99 3
306.3 4.07 4
306.4 5.1 5
306.5 6.29 6
306.6 6.62 6
306.7 5.72 5
306.8 4.31 4
306.9 3.57 3
307.0 4.01 4
307.1 5.1 5
307.2 5.83 5
307.3 5.61 5
307.4 4.79 4
307.5 4.32 4
307.6 4.86 4
307.7 6.05 6
307.8 6.78 6
307.9 6.35 6
308.0 5.23 5
308.1 4.43 4
308.2 4.48 4
308.3 5.08 5
308.4 5.59 5
308.5 5.6 5
308.6 5.21 5
308.7 4.9 4
308.8 5.05 5
308.9 5.61 5
309.0 6.23 6
309.1 6.52 6
309.2 6.28 6
309.3 5.52 5
309.4 4.61 4
309.5 4.2 4
309.6 4.72 4
309.7 5.77 5
309.8 6.41 6
309.9 6.02 6
310.0 5.02 5
310.1 4.37 4
310.2 4.68 4
310.3 5.7 5
310.4 6.63 6
310.5 6.71 6
310.6 5.91 5
310.7 4.98 4
310.8 4.78 4
310.9 5.44 5
311.0 6.29 6
311.1 6.45 6
311.2 5.65 5
311.3 4.45 4
311.4 3.79 3
311.5 4.19 4
311.6 5.27 5
311.7 6.09 6
311.8 6.0 5
311.9 5.2 5
312.0 4.5 4
312.1 4.6 4
312.2 5.43 5
312.3 6.24 6
312.4 6.24 6
312.5 5.39 5
312.6 4.43 4
312.7 4.24 4
312.8 5.04 5
312.9 6.04 6
313.0 6.26 6
313.1 5.47 5
313.2 4.4 4
313.3 4.0 3
313.4 4.61 4
313.5 5.79 5
313.6 6.66 6
313.7 6.58 6
313.8 5.68 5
313.9 4.71 4
314.0 4.47 4
314.1 5.08 5
314.2 5.92 5
314.3 6.21 6
314.4 5.7 5
314.5 4.84 4
314.6 4.36 4
314.7 4.72 4
314.8 5.71 5
314.9 6.52 6
315.0 6.37 6
315.1 5.39 5
315.2 4.53 4
315.3 4.7 4
315.4 5.84 5
315.5 7.08 7
315.6 7.57 7
315.7 7.13 7
315.8 6.2 6
315.9 5.46 5
316.0 5.27 5
316.1 5.38 5
316.2 5.17 5
316.3 4.37 4
316.4 3.39 3
316.5 2.99 2
316.6 3.56 3
316.7 4.74 4
316.8 5.69 5
316.9 5.77 5
317.0 5.11 5
317.1 4.44 4
317.2 4.44 4
317.3 5.13 5
317.4 5.86 5
317.5 5.96 5
317.6 5.27 5
317.7 4.32 4
317.8 3.9 3
317.9 4.36 4
318.0 5.24 5
318.1 5.8 5
318.2 5.61 5
318.3 4.95 4
318.4 4.46 4
318.5 4.58 4
318.6 5.24 5
318.7 5.93 5
318.8 6.07 6
318.9 5.55 5
319.0 4.82 4
319.1 4.55 4
319.2 4.99 4
319.3 5.79 5
319.4 6.29 6
319.5 6.02 6
319.6 5.12 5
319.7 4.3 4
319.8 4.3 4
319.9 5.19 5
320.0 6.14 6
320.1 6.23 6
320.2 5.38 5
320.3 4.46 4
320.4 4.44 4
320.5 5.4 5
320.6 6.51 6
320.7 6.78 6
320.8 5.93 5
320.9 4.56 4
321.0 3.67 3
321.1 3.86 3
321.2 4.86 4
321.3 5.75 5
321.4 5.83 5
321.5 5.2 5
321.6 4.58 4
321.7 4.61 4
321.8 5.27 5
321.9 5.99 5
322.0 6.06 6
322.1 5.27 5
322.2 4.21 4
322.3 3.76 3
322.4 4.31 4
322.5 5.3 5
322.6 5.88 5
322.7 5.68 5
322.8 5.07 5
322.9 4.75 4
323.0 5.16 5
323.1 5.96 5
323.2 6.26 6
323.3 5.58 5
323.4 4.42 4
323.5 3.72 3
323.6 3.99 3
323.7 4.87 4
323.8 5.55 5
323.9 5.5 5
324.0 4.91 4
324.1 4.5 4
324.2 4.75 4
324.3 5.54 5
324.4 6.28 6
324.5 6.42 6
324.6 5.77 5
324.7 4.69 4
324.8 4.0 3
324.9 4.32 4
325.0 5.39 5
325.1 6.24 6
325.2 6.16 6
325.3 5.31 5
325.4 4.49 4
325.5 4.36 4
325.6 4.9 4
325.7 5.55 5
325.8 5.76 5
325.9 5.3 5
326.0 4.48 4
326.1 4.21 4
326.2 5.31 5
326.3 7.18 7
326.4 8.44 8
326.5 10.12 10
326.6 15.01 14
326.7 22.25 22
326.8 26.21 26
326.9 23.14 23
327.0 15.68 15
327.1 8.95 8
342.3 3.34 3
342.4 4.25 4
342.5 8.37 8
342.6 21.72 21
342.7 47.0 46
342.8 76.4 76
342.9 94.74 94
343.0 91.55 91
343.1 68.81 68
343.2 38.29 38
343.3 13.25 13
343.4 1.0 0
360.7 2.13 2
360.8 3.3 3
360.9 10.78 10
361.0 28.72 28
361.1 54.36 54
361.2 73.83 73
361.3 71.92 71
361.4 48.71 48
361.5 20.96 20
361.6 4.83 4
//
system version 2.2.8-SNAPSHOT