ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003856
RECORD_TITLE: AZACYCLONOL; 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$NAME: AZACYCLONOL
CH$NAME: ALPHA,ALPHA-DIPHENYL-4-PIPERIDINEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁NO
CH$EXACT_MASS: 267.16231
CH$SMILES: N(C3)CCC(C3)C(O)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2
CH$LINK: INCHIKEY ZMISODWVFHHWNR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2045280

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053i-9600000000-759ea6880c668530ef20
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  50 0.9 9
  51 5.9 59
  52 1.9 19
  53 0.39 4
  54 3.9 39
  55 18.9 189
  56 18.9 189
  57 0.79 8
  58 2.9 29
  59 0.9 9
  75 0.9 9
  76 0.29 3
  77 22.9 229
  78 3.9 39
  79 1.9 19
  80 0.29 3
  81 1.9 19
  82 5.9 59
  83 5.9 59
  84 7.49 75
  85 99.99 999
  86 6.9 69
  87 0.4 4
  90 0.04 0
  91 5.9 59
  92 1.9 19
  105 0.9 9
  106 0.19 2
  107 43.9 439
  108 4.9 49
  109 0.9 9
  115 0.29 3
  116 0.9 9
  117 0.9 9
  126 0.9 9
  127 0.19 2
  128 3.9 39
  129 3.9 39
  179 0.4 4
  180 0.09 1
  181 1.9 19
  182 2.4 24
  183 70.9 709
  184 1.19 12
  185 2.4 24
  189 2.4 24
  190 4.9 49
  191 0.24 2
  192 0.9 9
  247 0.9 9
  248 3.9 39
  249 0.19 2
  250 0.4 4
  266 0.9 9
  267 5.9 59
  268 0.9 9
//