ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009557
RECORD_TITLE: 4-HYDROXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₂
CH$EXACT_MASS: 122.03678
CH$SMILES: O=Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
CH$LINK: CAS 123-08-0
CH$LINK: INCHIKEY RGHHSNMVTDWUBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059552

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00di-8900000000-60621d4d9871b2d7587d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  18 1.26 13
  27 1.78 18
  28 5.46 55
  29 5.29 53
  32 1.1 11
  37 1.94 19
  38 5.93 59
  39 31.11 311
  40 3.52 35
  47 1.09 11
  50 4.4 44
  51 4.2 42
  53 4.85 49
  55 2.05 21
  61 1.56 16
  62 4.14 41
  63 10.79 108
  64 4.56 46
  65 39.99 400
  66 7.47 75
  74 2.01 20
  75 1.59 16
  92 2.68 27
  93 32.98 330
  94 6.08 61
  121 99.99 999
  122 90.64 906
  123 10.85 109
//