ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011836
RECORD_TITLE: (E)-(3R)-3-BENZYLAMINO-5-PHENYL-4-PENTENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-(3R)-3-BENZYLAMINO-5-PHENYL-4-PENTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁NO
CH$EXACT_MASS: 267.16231
CH$SMILES: OCCC([H])(NCc(c2)cccc2)C([H])=C([H])c(c1)cccc1
CH$IUPAC: InChI=1S/C18H21NO/c20-14-13-18(12-11-16-7-3-1-4-8-16)19-15-17-9-5-2-6-10-17/h1-12,18-20H,13-15H2/b12-11+
CH$LINK: INCHIKEY HLIODCUSBCPMJY-VAWYXSNFSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-9470000000-5273ee31ca66faeffeb9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  18 3.3 33
  28 1.1 11
  30 1.1 11
  31 1.1 11
  39 1.6 16
  41 1.1 11
  42 1.6 16
  43 1.1 11
  51 2.2 22
  63 1.1 11
  65 6.6 66
  72 2.2 22
  77 3.8 38
  78 1.6 16
  79 1.6 16
  89 1.1 11
  90 1.1 11
  91 97.8 978
  92 9.9 99
  102 1.1 11
  103 2.2 22
  104 2.2 22
  105 4.4 44
  106 2.7 27
  107 1.1 11
  115 4.9 49
  116 1.6 16
  117 3.8 38
  118 1.1 11
  127 1.1 11
  128 3.8 38
  129 3.8 38
  130 6 60
  131 2.2 22
  132 2.2 22
  133 1.6 16
  143 1.6 16
  144 1.6 16
  164 4.4 44
  176 11 110
  177 1.6 16
  222 99.99 999
  223 19.8 198
  224 3.3 33
  267 1.8 18
//