ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011298
RECORD_TITLE: META-TOLUOYL CHLORIDE; 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$NAME: META-TOLUOYL CHLORIDE
CH$NAME: 3-METHYLBENZOYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇ClO
CH$EXACT_MASS: 154.01854
CH$SMILES: Cc(c1)cc(cc1)C(=O)Cl
CH$IUPAC: InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
CH$LINK: CAS 1711-06-4
CH$LINK: INCHIKEY YHOYYHYBFSYOSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061905

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-014l-9600000000-f7adc66ca78671809104
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1.41 14
  37 1.42 14
  38 2.98 30
  39 10.18 102
  41 1.57 16
  46 1.07 11
  50 6.79 68
  51 5.81 58
  52 1.56 16
  61 2.55 26
  62 6.19 62
  63 13.87 139
  64 3.39 34
  65 18.96 190
  66 1.09 11
  74 2.54 25
  75 1.86 19
  76 1.43 14
  85 1.01 10
  86 1.59 16
  87 1.28 13
  89 10.68 107
  90 5.33 53
  91 64.21 642
  92 5.26 53
  119 99.99 999
  120 8.94 89
  154 7.18 72
  156 2.2 22
//