ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004588
RECORD_TITLE: 5-(PARA-PHENOXYPHENYL)PENTANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-(PARA-PHENOXYPHENYL)PENTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₈O₂
CH$EXACT_MASS: 254.13068
CH$SMILES: O=CCCCCc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C17H18O2/c18-14-6-2-3-7-15-10-12-17(13-11-15)19-16-8-4-1-5-9-16/h1,4-5,8-14H,2-3,6-7H2
CH$LINK: INCHIKEY PTCVKJYCZZJKTC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85520947

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-001i-5920000000-f1d304356981df1746b8
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  39 6.06 61
  41 3.47 35
  43 1.54 15
  50 2.76 28
  51 15.9 159
  52 2.07 21
  53 1.42 14
  55 2.45 25
  63 2.74 27
  64 1.42 14
  65 4.62 46
  71 1.37 14
  75 1.04 10
  76 1.91 19
  77 33.99 340
  78 5 50
  79 1.03 10
  89 3.83 38
  90 2.65 27
  91 8.96 90
  92 1.1 11
  103 2.02 20
  104 1.98 20
  107 11.75 118
  108 1.1 11
  115 6.98 70
  116 3.97 40
  117 4.96 50
  127 1.96 20
  128 2.84 28
  129 2.9 29
  133 1.12 11
  141 1.39 14
  143 1.19 12
  152 1.42 14
  153 2.71 27
  154 1.84 18
  155 4.26 43
  165 1.26 13
  170 1.26 13
  181 1.59 16
  183 99.99 999
  184 18.06 181
  185 1.7 17
  196 1.95 20
  197 1.5 15
  209 2.35 24
  210 1.75 18
  254 35.47 355
  255 7.16 72
//