MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001283

DL-2-HYDROXYBUTANOIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001283
RECORD_TITLE: DL-2-HYDROXYBUTANOIC 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$NAME: DL-2-HYDROXYBUTANOIC ACID
CH$NAME: DL-2-HYDROXYBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₃
CH$EXACT_MASS: 104.04734
CH$SMILES: CCC(O)C(O)=O
CH$IUPAC: InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
CH$LINK: COMPTOX DTXSID8041903
CH$LINK: INCHIKEY AFENDNXGAFYKQO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11266

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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$SPLASH: splash10-0a4i-9000000000-4d935da8e593ec61fd96
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  19 3.19 32
  26 1.67 17
  27 8.37 84
  28 7.24 72
  29 11.63 116
  30 1.83 18
  31 28.84 288
  39 6.45 65
  40 1.27 13
  41 31.87 319
  42 6.22 62
  43 5.58 56
  44 6.53 65
  45 5.42 54
  55 15.3 153
  56 1.27 13
  57 9.64 96
  58 7.81 78
  59 99.99 999
  60 4.46 45
  70 8.37 84
  76 1.59 16
  92 1.43 14
  105 1 10
//