MassBank Record: JP002964



 (22R,25S)-22,26-EPIMINO-5ALPHA-CHOLESTAN-3BETA-OL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002964
RECORD_TITLE: (22R,25S)-22,26-EPIMINO-5ALPHA-CHOLESTAN-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$NAME: (22R,25S)-22,26-EPIMINO-5ALPHA-CHOLESTAN-3BETA-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H47NO CH$EXACT_MASS: 401.36577 CH$SMILES: C(C3(C)4)CC(C(C(CCC4([H])C([H])(C)C([H])(C5)NCC([H])(C)C5)3[H])([H])2)([H])C(C)(C([H])1CC2)CCC(C1)([H])O CH$IUPAC: InChI=1S/C27H47NO/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/h17-25,28-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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-b8fdf3f658396afc84d9 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 53 0.9 9 54 0.5 5 55 4.2 42 56 0.36 4 57 1.3 13 58 0.4 4 67 3 30 68 0.13 1 69 2.4 24 70 1.5 15 71 0.4 4 77 0.09 1 79 2.7 27 80 0.5 5 81 3.7 37 82 0.15 2 83 0.7 7 91 1.8 18 93 2.2 22 94 0.08 1 95 2 20 96 2.4 24 97 1.3 13 98 99.99 999 99 9 90 100 0.5 5 105 1.4 14 107 0.19 2 108 0.7 7 109 0.9 9 110 0.5 5 111 0.11 1 112 0.5 5 119 0.7 7 121 0.8 8 124 0.07 1 125 1.2 12 126 0.7 7 145 0.3 3 147 0.04 0 150 0.3 3 159 0.3 3 161 0.4 4 384 0.01 0 385 0.1 1 386 0.2 2 387 0.1 1 398 0.01 0 399 0.1 1 400 0.3 3 401 0.1 1 402 0.1 1 //