MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009140

2,3-BUTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009140
RECORD_TITLE: 2,3-BUTANEDIOL; 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$NAME: 2,3-BUTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀O₂
CH$EXACT_MASS: 90.06808
CH$SMILES: CC(O)C(C)O
CH$IUPAC: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
CH$LINK: INCHIKEY OWBTYPJTUOEWEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041321

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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$SPLASH: splash10-0002-9000000000-e110e7ce89cc64b78ca2
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  19 5.11 51
  26 1.12 11
  27 9.78 98
  28 4.43 44
  29 10.68 107
  31 2.18 22
  42 1.53 15
  43 13.33 133
  44 4.6 46
  45 99.99 999
  46 3.21 32
  47 4.98 50
  55 1.62 16
  57 8.81 88
  75 2.15 22
//