MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009206

METHOXYACETIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009206
RECORD_TITLE: METHOXYACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: METHOXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.03169
CH$SMILES: COCC(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
CH$LINK: INCHIKEY RMIODHQZRUFFFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1031591

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AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9000000000-00eacd2cc9c79e884a7f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  13 1.05 11
  14 3.6 36
  15 19.84 198
  27 1.56 16
  29 38.62 386
  30 2.5 25
  31 15.02 150
  39 1.17 12
  41 2.53 25
  42 8.11 81
  43 1.72 17
  44 1.84 18
  45 99.99 999
  46 2.88 29
  59 1.14 11
  60 26.86 269
  61 1.4 14
  69 1.21 12
//