ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008709
RECORD_TITLE: O-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: O-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
CH$LINK: INCHIKEY PKZJLOCLABXVMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1051690

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-002r-9500000000-ab1452f1184986cd6973
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 4.7 47
  26 1.3 13
  27 3.49 35
  28 2.91 29
  29 10.26 103
  31 3.03 30
  37 4.29 43
  38 11.43 114
  39 36.15 362
  49 1.77 18
  50 23.93 239
  51 28.99 290
  52 3.95 40
  53 6.47 65
  61 3.46 35
  62 7.32 73
  63 27.23 272
  64 14.83 148
  65 34.04 340
  66 3.18 32
  73 1.82 18
  74 8.45 85
  75 5.45 55
  76 39.03 390
  77 69.5 695
  78 32.13 321
  79 20.87 209
  80 1.59 16
  89 1.64 16
  90 15.49 155
  91 14.72 147
  92 28.73 287
  93 8.36 84
  94 8.18 82
  104 22.37 224
  105 16.52 165
  106 1.23 12
  107 11.24 112
  108 1.59 16
  118 22.41 224
  119 26.39 264
  120 5.43 54
  121 14.73 147
  122 1.23 12
  135 48.43 484
  136 99.99 999
  137 7.75 78
//