ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003075
RECORD_TITLE: DIPHENYLPYRALINE; 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$NAME: DIPHENYLPYRALINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₃NO
CH$EXACT_MASS: 281.17796
CH$SMILES: CN(C3)CCC(C3)OC(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
CH$LINK: INCHIKEY OWQUZNMMYNAXSL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022952

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$SPLASH: splash10-0002-9500000000-c0c4dde4b9a2e2daa726
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  69 0.9 9
  70 15.9 159
  71 3.9 39
  72 0.09 1
  77 4.4 44
  78 1.9 19
  79 1.4 14
  80 0.09 1
  81 0.4 4
  82 2.9 29
  83 1.9 19
  84 0.19 2
  85 0.9 9
  94 1.9 19
  95 0.9 9
  96 1.04 10
  97 7.9 79
  98 31.9 319
  99 99.99 999
  100 0.74 7
  105 3.4 34
  114 40.9 409
  115 4.9 49
  128 0.19 2
  149 0.9 9
  150 0.4 4
  151 0.9 9
  152 0.79 8
  153 2.4 24
  163 0.9 9
  164 1.4 14
  165 1.34 13
  166 5.9 59
  167 27.4 274
  168 8.9 89
  169 0.14 1
  267 1.4 14
  281 1.4 14
  282 1.4 14
  283 0.7 7
//