ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005273
RECORD_TITLE: P-CHLOROBENZALDEHYDE; 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$NAME: P-CHLOROBENZALDEHYDE
CH$NAME: 4-CHLOROBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅ClO
CH$EXACT_MASS: 140.00289
CH$SMILES: O=Cc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
CH$LINK: INCHIKEY AVPYQKSLYISFPO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021860

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$SPLASH: splash10-01p6-4900000000-c472a44843eaabe4bc7c
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.04 10
  27 2.04 20
  29 3.49 35
  37 4.72 47
  37.5 1.57 16
  38 6.7 67
  39 2.15 22
  44 1.22 12
  49 3.5 35
  50 25.89 259
  51 18.48 185
  52 4.78 48
  55 1.22 12
  60 1 10
  61 2.27 23
  62 1.98 20
  63 1.75 18
  73 4.2 42
  74 14.57 146
  75 28.86 289
  76 8.57 86
  77 17.08 171
  78 1.28 13
  84 1.57 16
  85 3.91 39
  86 1 10
  87 1.28 13
  110 1.1 11
  111 55.51 555
  112 8.45 85
  113 18.36 184
  114 2.68 27
  139 99.99 999
  140 71.02 710
  141 37.67 377
  142 24.37 244
  143 1.52 15
//