ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004268
RECORD_TITLE: ACETOMETHANOL; 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

CH$NAME: ACETOMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O₂
CH$EXACT_MASS: 74.03678
CH$SMILES: OCC(C)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
CH$LINK: INCHIKEY XLSMFKSTNGKWQX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8051590

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-07305dfad59d2227ffa7
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  15 6.04 60
  27 1.83 18
  29 3.66 37
  31 12.93 129
  42 3.35 34
  43 99.99 999
  44 3.6 36
  45 8.48 85
  57 1 10
  74 11.34 113
  75 1.1 11
//