ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009418
RECORD_TITLE: PHENYLACETALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLACETALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=CCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
CH$LINK: INCHIKEY DTUQWGWMVIHBKE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021483

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-d37cbef4100302e951de
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 5.66 57
  26 3.19 32
  27 3.49 35
  28 33.69 337
  29 9.74 97
  32 14.49 145
  37 2.38 24
  38 5.19 52
  39 14.82 148
  40 2.09 21
  41 3.03 30
  42 8.12 81
  43 99.99 999
  44 2.45 25
  49 1.6 16
  50 13.73 137
  51 24.96 250
  52 3.83 38
  53 1.32 13
  57 1.1 11
  58 36.05 361
  59 2.23 22
  61 2.66 27
  62 4.97 50
  63 12.31 123
  64 2.78 28
  65 26.25 263
  66 1.76 18
  74 4.3 43
  75 2.23 22
  76 3.59 36
  77 29.97 300
  78 4.47 45
  89 3.82 38
  90 1.76 18
  91 60.27 603
  92 17.05 171
  93 1.61 16
  103 2.7 27
  105 13.48 135
  106 2.2 22
  120 4.55 46
//