ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009174
RECORD_TITLE: ACETIC ACID; 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

CH$NAME: ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄O₂
CH$EXACT_MASS: 60.02113
CH$SMILES: CC(O)=O
CH$IUPAC: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024394

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0007-9000000000-a9a21f72ec25efbc1650
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  13 2.97 30
  14 6.75 68
  15 27.87 279
  16 2.28 23
  17 1.26 13
  28 2.2 22
  29 10.41 104
  31 3.68 37
  40 1.07 11
  41 3.58 36
  42 12.14 121
  43 99.99 999
  44 3.72 37
  45 86.74 867
  46 1.08 11
  60 50.22 502
  61 1.02 10
//