MassBank Record: JP002964

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(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)

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: 401.3657699999999977080733515322208404541015625
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
CH$LINK: INCHIKEY ITXLZVVZOJDDNX-ZBOQGUEPSA-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$SPLASH: splash10-0002-9000000000-b8fdf3f658396afc84d9
PK$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
//