MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007969

BUTYL BUTYRYLLACTATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007969
RECORD_TITLE: BUTYL BUTYRYLLACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: BUTYL BUTYRYLLACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCCCOC(=O)C(C)OC(=O)CCC
CH$IUPAC: InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY NORZZKKLCYMBBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044831

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00dl-9100000000-ccd0755d36efe65fbd6d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  27 4.5 45
  29 5.4 54
  41 78.2 782
  43 2.3 23
  56 3.6 36
  57 6.3 63
  71 99.99 999
  72 0.45 5
  115 13.5 135
  116 1.3 13
  143 3.9 39
  160 0.09 1
  172 3.8 38
//