MassBank Record: JP002965

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(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)

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: 399.35012000000000398358679376542568206787109375
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
//