ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004125
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$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-00di-8900000000-583bbd8c5848ff6c26b1
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  28 1.1 11
  29 4.1 41
  31 1 10
  37 3 30
  38 8 80
  39 25 250
  40 0.72 7
  46 1.5 15
  47 4 40
  50 5.8 58
  51 0.3 3
  52 1 10
  53 5.5 55
  55 1.8 18
  61 0.32 3
  62 3.5 35
  63 5.1 51
  64 3 30
  65 3.1 31
  66 8 80
  67 1.6 16
  74 2.1 21
  75 0.17 2
  76 21 210
  77 2.7 27
  92 1.5 15
  93 1.7 17
  94 6.2 62
  104 13 130
  105 1 10
  121 9.25 93
  122 99.99 999
  123 8.3 83
  124 1 10
//