MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002965
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002965
RECORD_TITLE: (22R,25S)-22,26-EPIMINO-5ALPHA-CHOLEST-5-EN-3BETA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: (22R,25S)-22,26-EPIMINO-5ALPHA-CHOLEST-5-EN-3BETA-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H45NO
CH$EXACT_MASS: 399.35012
CH$SMILES: C(C25[H])CC(C2(C)CCC(C5([H])4)([H])C(C3=C(C4)[H])(C)CCC(C3)([H])O)([H])C([H])(C)C([H])(C1)NCC([H])(C)C1
CH$IUPAC: InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
CH$LINK: INCHIKEY
SWTXHUUBYZNDAJ-OWJFKGPJSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9000000000-36c77b4a2a7c2ce44da1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
53 1.2 12
55 5.8 58
56 4.2 42
57 0.22 2
67 3 30
68 1.4 14
69 2.8 28
70 0.38 4
77 1.9 19
79 3.4 34
81 5 50
82 0.02 0
83 1 10
91 3.3 33
93 2.3 23
94 0.13 1
95 1.7 17
96 4 40
97 2 20
98 99.99 999
99 14 140
105 2.5 25
107 0.15 2
111 3 30
117 1 10
119 1.1 11
124 1.2 12
125 2.9 29
126 0.01 0
244 1 10
272 0.9 9
273 1 10
382 0.03 0
383 0.1 1
384 0.1 1
397 0.2 2
398 0.03 0
399 0.1 1
//