MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010443

IODOACETIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010443
RECORD_TITLE: IODOACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

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CH$NAME: IODOACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅IO₂
CH$EXACT_MASS: 199.93342
CH$SMILES: COC(=O)CI
CH$IUPAC: InChI=1S/C3H5IO2/c1-6-3(5)2-4/h2H2,1H3
CH$LINK: INCHIKEY YDGMIJCIBXSCQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30423925

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AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0uk9-7690000000-11c4a47c80e5297e59da
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41 1.06 11
  42 10.9 109
  45 1.79 18
  59 5.75 58
  73 59.41 594
  74 3.43 34
  127 8.35 84
  128 1.44 14
  139 1.05 11
  140 3.09 31
  141 31.7 317
  168 3.91 39
  169 29.85 299
  200 99.99 999
  201 3.82 38
//