MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002115

PROPIONIC ACID BUTYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002115
RECORD_TITLE: PROPIONIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: PROPIONIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCOC(=O)CC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY BTMVHUNTONAYDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027223

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a6r-9000000000-fe604893272116d73ad4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  26 1.61 16
  27 11.3 113
  28 7.69 77
  29 51.94 519
  30 1.42 14
  31 3.94 39
  39 3.1 31
  41 21.38 214
  42 1.87 19
  43 4.59 46
  55 7.24 72
  56 35.47 355
  57 99.99 999
  58 3.29 33
  71 3.04 30
  73 1.49 15
  74 2.2 22
  75 23.13 231
  87 5.88 59
//