MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007271

METHYL 5-BENZYLOXY-3-OXOPENTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007271
RECORD_TITLE: METHYL 5-BENZYLOXY-3-OXOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL 5-BENZYLOXY-3-OXOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₄
CH$EXACT_MASS: 236.10486
CH$SMILES: COC(=O)CC(=O)CCOCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O4/c1-16-13(15)9-12(14)7-8-17-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
CH$LINK: INCHIKEY ADHIZSXYKLZVOR-UHFFFAOYSA-N

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AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-0900000000-38aed5d5c86229d29bd2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  55 2.4 24
  70 2.4 24
  78 2.2 22
  79 2.35 24
  80 4.2 42
  90 3.2 32
  105 2.3 23
  106 0.91 9
  107 23.5 235
  108 99.99 999
  109 20.5 205
  116 0.27 3
  117 2 20
  130 27.3 273
  159 1.9 19
  218 0.16 2
  219 2.6 26
//