MassBank Record: JP002965



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

ACCESSION: 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
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 99.99 999 119 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 99 14 140 105 2.5 25 107 0.15 2 111 3 30 117 1 10 //