MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002093

2-METHYLLACTIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002093
RECORD_TITLE: 2-METHYLLACTIC ACID; 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$NAME: 2-METHYLLACTIC ACID
CH$NAME: ALPHA-HYDROXY ISOBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: OC(=O)C(C)(C)O
CH$IUPAC: InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4032954

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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$SPLASH: splash10-0a4l-9000000000-bb87a50521380a4f04c0
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 2.06 21
  15 10.66 107
  26 1.62 16
  27 5.88 59
  28 3.58 36
  29 7.5 75
  31 47.72 477
  38 1.62 16
  39 8.82 88
  40 1.76 18
  41 25.15 252
  42 5.88 59
  43 48.75 488
  44 3.9 39
  45 5.74 57
  47 2.65 27
  58 1.69 17
  59 99.99 999
  60 3.9 39
  89 1.84 18
//