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MassBank Record: JP003078

DIPHENHYDRAMINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003078
RECORD_TITLE: DIPHENHYDRAMINE; 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$NAME: DIPHENHYDRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H21NO
CH$EXACT_MASS: 255.16231
CH$SMILES: CN(C)CCOC(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
CH$LINK: INCHIKEY ZZVUWRFHKOJYTH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022949

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$SPLASH: splash10-0a4i-9100000000-7b9eb1f702c76f6b6062
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  41 0.9 9
  42 4.4 44
  43 2.9 29
  44 0.49 5
  45 7.4 74
  46 0.4 4
  50 0.4 4
  51 0.14 1
  52 0.4 4
  55 0.4 4
  56 2.4 24
  57 0.29 3
  58 99.99 999
  59 4.4 44
  60 0.4 4
  70 0.04 0
  71 1.4 14
  72 1.4 14
  73 24.9 249
  74 0.19 2
  75 0.4 4
  76 0.6 6
  77 1.9 19
  78 0.09 1
  88 0.4 4
  89 0.4 4
  90 0.4 4
  91 0.14 1
  92 0.4 4
  104 0.4 4
  105 1.9 19
  106 0.04 0
  151 0.4 4
  152 3.9 39
  153 1.4 14
  154 0.04 0
  163 0.6 6
  164 0.9 9
  165 8.9 89
  166 3.9 39
  167 0.99 10
  168 4.9 49
  169 0.9 9
  170 0.4 4
  182 0.04 0
  183 0.6 6
  184 0.4 4
  227 0.9 9
  228 0.04 0
  255 0.1 1
//

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