MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010599

BUTYL LACTATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010599
RECORD_TITLE: BUTYL 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$NAME: BUTYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₃
CH$EXACT_MASS: 146.09429
CH$SMILES: CCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
CH$LINK: INCHIKEY MRABAEUHTLLEML-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7042196

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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$SPLASH: splash10-0002-9000000000-746a83cab5dda7b0742d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  27 8.9 89
  28 3.1 31
  29 1.94 19
  31 1.8 18
  39 3.1 31
  41 15 150
  42 0.13 1
  43 4.5 45
  44 2.1 21
  45 99.99 999
  46 0.26 3
  55 2.9 29
  56 12.1 121
  57 25.5 255
  58 0.1 1
  75 3.4 34
  85 8.4 84
  91 1.6 16
  102 1 10
//