ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003066
RECORD_TITLE: BROMODIPHENHYDRAMINE; 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$NAME: BROMODIPHENHYDRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀BrNO
CH$EXACT_MASS: 333.07283
CH$SMILES: CN(C)CCOC(c(c2)cccc2)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
CH$LINK: INCHIKEY NUNIWXHYABYXKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022688

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$SPLASH: splash10-0a4i-9000000000-53342d9a3abac3e5c130
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  39 1.9 19
  40 1.4 14
  41 2.9 29
  42 0.49 5
  43 6.9 69
  44 6.9 69
  45 8.9 89
  46 0.04 0
  50 0.9 9
  51 1.9 19
  54 0.4 4
  55 0.29 3
  56 3.9 39
  57 8.1 81
  58 99.99 999
  59 0.44 4
  69 1.9 19
  70 2.6 26
  71 3.9 39
  72 0.24 2
  73 24.9 249
  74 2.4 24
  75 0.4 4
  76 0.04 0
  77 2.1 21
  78 0.9 9
  82 0.9 9
  83 0.14 1
  84 1.4 14
  85 1.9 19
  86 0.9 9
  90 0.04 0
  91 1.9 19
  92 0.4 4
  95 0.4 4
  96 0.04 0
  97 0.9 9
  98 1.4 14
  99 0.9 9
  105 0.29 3
  106 0.9 9
  113 0.9 9
  114 0.4 4
  115 0.11 1
  116 0.4 4
  126 0.4 4
  127 0.4 4
  128 0.09 1
  129 0.4 4
  163 0.4 4
  164 0.9 9
  165 0.54 5
  166 2.9 29
  167 5.9 59
  168 2.9 29
  169 0.09 1
  226 0.4 4
  227 1.4 14
  228 0.4 4
  254 0.4 4
//