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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008048

METHYL CELLOSOLVE ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008048
RECORD_TITLE: METHYL CELLOSOLVE ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL CELLOSOLVE ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O3
CH$EXACT_MASS: 118.06299
CH$SMILES: COCCOC(C)=O
CH$IUPAC: InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY XLLIQLLCWZCATF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025553

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052g-9000000000-2e52560b8eced652920a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28 2.54 25
  29 2.54 25
  31 2.54 25
  42 1.09 11
  43 99.99 999
  44 2.9 29
  45 61.78 618
  46 1.81 18
  58 80.07 801
  59 4.17 42
  60 1.99 20
  73 6.52 65
  75 1.45 15
  88 3.26 33
//

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