MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010456

PARA-METHOXYBENZOYL CHLORIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010456
RECORD_TITLE: PARA-METHOXYBENZOYL 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$NAME: PARA-METHOXYBENZOYL CHLORIDE
CH$NAME: PARA-ANISOYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: COc(c1)ccc(c1)C(=O)Cl
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY MXMOTZIXVICDSD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059204

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-000i-9700000000-96a35c922da44dbb3578
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  35 3.12 31
  36 15.73 157
  37 2.82 28
  38 8.31 83
  39 2.22 22
  40 2.31 23
  44 2.23 22
  45 1.54 15
  50 8.95 90
  51 4.56 46
  52 1.56 16
  53 3.04 30
  61 3.31 33
  62 5.36 54
  63 15.77 158
  64 14.99 150
  65 2.51 25
  73 2.05 21
  74 5.26 53
  75 4.88 49
  76 4.58 46
  77 26.81 268
  78 3.24 32
  79 2.73 27
  83 1.25 13
  91 2.74 27
  92 24.1 241
  93 2.11 21
  99 1.49 15
  105 1.63 16
  107 10.89 109
  111 1.18 12
  120 2.46 25
  121 1.51 15
  122 3.97 40
  127 1.16 12
  135 99.99 999
  136 9.4 94
  154 2.21 22
  170 9.14 91
  172 3.11 31
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo