MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005436
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005436
RECORD_TITLE: METHOXYACETONE; 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$NAME: METHOXYACETONE
CH$NAME: 1-METHOXY-2-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2
CH$EXACT_MASS: 88.05243
CH$SMILES: COCC(C)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
CH$LINK: INCHIKEY
CUZLJOLBIRPEFB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0064048
AC$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: splash10-0005-9000000000-c5e2cf813246f9753405
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
14 1.32 13
15 13.49 135
27 3.64 36
28 1.92 19
29 14.95 150
31 2.58 26
42 4.63 46
43 76.65 767
44 2.58 26
45 99.99 999
46 2.31 23
57 1.92 19
58 35.65 357
59 1.39 14
88 2.05 21
89 1.46 15
//
system version 2.2.8-SNAPSHOT