ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008920
RECORD_TITLE: SALICYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: SALICYLALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₂
CH$EXACT_MASS: 122.03678
CH$SMILES: O=Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
CH$LINK: INCHIKEY SMQUZDBALVYZAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021792

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dr-9500000000-e18d8d6fc6476767e239
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  25 1 10
  26 2.9 29
  27 5.7 57
  28 0.34 3
  29 8.6 86
  31 1.4 14
  37 8.4 84
  38 1.58 16
  39 53.9 539
  40 9.8 98
  41 1.4 14
  42 0.14 1
  43 1.9 19
  46 1.4 14
  47 4.5 45
  49 0.27 3
  50 13.7 137
  51 8.7 87
  52 1.2 12
  53 0.98 10
  54 1 10
  55 3.9 39
  60 1 10
  61 0.6 6
  62 7.9 79
  63 14.9 149
  64 6.8 68
  65 4.54 45
  66 15.4 154
  67 1.7 17
  68 1.4 14
  70 0.1 1
  73 1.7 17
  74 4.8 48
  75 3.3 33
  76 2.71 27
  77 3.3 33
  92 4.3 43
  93 24.3 243
  94 1.03 10
  104 17.1 171
  105 1.7 17
  120 5 50
  121 9.52 95
  122 99.99 999
  123 7.7 77
  124 1 10
//