MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010598

PROPYL LACTATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010598
RECORD_TITLE: PROPYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: PROPYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₃
CH$EXACT_MASS: 132.07864
CH$SMILES: CCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY ILVGAIQLOCKNQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3049334

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0002-9000000000-bd5a5d7c84430e160127
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 1.9 19
  26 1.2 12
  27 11.1 111
  28 0.23 2
  29 3.5 35
  31 6.2 62
  39 2.1 21
  41 0.93 9
  42 2.5 25
  43 27.3 273
  44 1.4 14
  45 99.99 999
  46 2.3 23
  56 1.6 16
  59 2.8 28
  75 0.46 5
  89 1.2 12
  132 0.5 5
//