ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009573
RECORD_TITLE: 3-HYDROXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 3-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₂
CH$EXACT_MASS: 122.03678
CH$SMILES: O=Cc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
CH$LINK: INCHIKEY IAVREABSGIHHMO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7059220

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-00di-9500000000-a38c126d44548ebb0b6d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 1.44 14
  27 2.64 26
  28 28.08 281
  29 6.25 63
  31 2.52 25
  32 7.31 73
  37 4.57 46
  38 10.68 107
  39 37.41 374
  40 5.75 58
  41 1.26 13
  43 1.31 13
  49 1.42 14
  50 6.91 69
  51 5.66 57
  53 6.96 70
  55 4.06 41
  57 1.02 10
  61 4.27 43
  62 7.19 72
  63 14.58 146
  64 6.6 66
  65 46.87 469
  66 12.78 128
  67 1.28 13
  69 4.01 40
  73 1.18 12
  74 3.8 38
  75 2.47 25
  76 1.67 17
  77 1.35 14
  92 2.68 27
  93 52.18 522
  94 10.53 105
  119 1.23 12
  121 89.9 899
  122 99.99 999
  123 8.38 84
//