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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003303

DIMETHYL PHTHALATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003303
RECORD_TITLE: DIMETHYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY NIQCNGHVCWTJSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022455

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-4900000000-bf5f1bff942c9a67e0dc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  50 9.6 96
  51 4.2 42
  52 1.2 12
  58 2.3 23
  62 2.1 21
  63 2.5 25
  65 1.3 13
  66 0.9 9
  74 4 40
  75 3.1 31
  76 10.2 102
  77 15.6 156
  78 1.6 16
  79 1.3 13
  91 1.2 12
  92 8 80
  93 1 10
  104 4.4 44
  105 2.7 27
  119 0.9 9
  120 2.1 21
  133 4.2 42
  135 5.8 58
  136 0.9 9
  149 0.9 9
  163 99.99 999
  164 9.1 91
  165 1.3 13
  194 13.1 131
  195 1.6 16
//

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