MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005823

(S)-(-)-METHYL LACTATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005823
RECORD_TITLE: (S)-(-)-METHYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: (S)-(-)-METHYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: COC(=O)C([H])(C)O
CH$IUPAC: InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1
CH$LINK: INCHIKEY LPEKGGXMPWTOCB-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID9074359

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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$SPLASH: splash10-0002-9000000000-e2a23e45a7d0dbb9b8f1
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  29 1 10
  33 6.55 66
  43 3.91 39
  44 1.41 14
  45 99.99 999
  46 2.67 27
  59 3.37 34
  61 8.87 89
  77 3.65 37
  89 4.27 43
  104 10.49 105
//