MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009226

3-METHYLBUTYL LACTATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009226
RECORD_TITLE: 3-METHYLBUTYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYLBUTYL LACTATE
CH$NAME: ISOAMYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₃
CH$EXACT_MASS: 160.10994
CH$SMILES: CC(C)CCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
CH$LINK: INCHIKEY CRORGGSWAKIXSA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00858801

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0005-9000000000-b5e66780d59559b2e8b9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 2.1 21
  19 1.8 18
  26 1.1 11
  27 1.46 15
  29 11.8 118
  31 1.7 17
  39 7.9 79
  41 1.91 19
  42 6.5 65
  43 64.2 642
  44 3.3 33
  45 99.99 999
  46 2.3 23
  53 1.3 13
  55 19.1 191
  56 0.26 3
  57 1.8 18
  63 1 10
  69 2.1 21
  70 2.74 27
  71 21 210
  72 1.2 12
  75 2.6 26
  91 1.3 13
//