ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004109
RECORD_TITLE: 2,41-DICHLOROBENZHYDROL; 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$NAME: 2,41-DICHLOROBENZHYDROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10Cl2O
CH$EXACT_MASS: 252.01087
CH$SMILES: Clc(c2)ccc(c2)C(O)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C13H10Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13,16H
CH$LINK: INCHIKEY VFGVWLQSEJIIJV-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-000l-4920000000-52f07b73418cda754ead
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  35 1.2 12
  36 1 10
  39 1.3 13
  47 5.4 54
  48 2.7 27
  49 1.9 19
  50 4.9 49
  51 0.92 9
  63 3 30
  74 2 20
  75 10.3 103
  76 1.09 11
  76.5 1.2 12
  77 34 340
  78 3.4 34
  81 0.22 2
  82 3.6 36
  82.5 1.3 13
  83 25.1 251
  85 1.69 17
  87 3.1 31
  89 1.1 11
  90 3.2 32
  90.5 0.25 3
  99 2.4 24
  99.5 1.6 16
  100 1.1 11
  104 0.22 2
  105 6.3 63
  108 1.4 14
  111 13 130
  112 1.73 17
  113 13 130
  114 6.2 62
  115 3 30
  139 99.99 999
  140 12 120
  141 52.6 526
  142 5.4 54
  143 0.73 7
  151 1.7 17
  152 6.1 61
  153 2.4 24
  163 0.26 3
  164 1.9 19
  165 5.6 56
  181 2 20
  199 0.43 4
  201 1.6 16
  217 24.8 248
  218 3.6 36
  219 0.8 8
  220 1.1 11
  235 1.4 14
  251 2.9 29
  252 2.3 23
  253 4.9 49
  254 14.6 146
  255 2.3 23
  256 2.3 23
//
