ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001282
RECORD_TITLE: META-TOLUOYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-TOLUOYL CHLORIDE
CH$NAME: M-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: INCHIKEY YHOYYHYBFSYOSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061905

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014l-9600000000-9ae967ad6ad30004b79c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  38 1.83 18
  39 12.2 122
  41 1.65 17
  45 1.74 17
  45.5 3.58 36
  50 4.95 50
  51 4.5 45
  59 2.11 21
  59.5 1.19 12
  61 1.01 10
  62 3.67 37
  63 10.28 103
  64 1.74 17
  65 22.94 229
  89 7.43 74
  90 2.84 28
  91 72.39 724
  92 4.59 46
  119 99.99 999
  120 7.61 76
  154 6.42 64
  156 1.74 17
//