MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007063
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007063
RECORD_TITLE: METHYL ACETATE; 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$NAME: METHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O2
CH$EXACT_MASS: 74.03678
CH$SMILES: COC(C)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
CH$LINK: CAS
79-20-9
CH$LINK: INCHIKEY
KXKVLQRXCPHEJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021767
AC$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: splash10-0006-9000000000-8e16bef1c0d338a20817
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
14 3.96 40
15 22.79 228
29 7.89 79
30 1.04 10
31 2.05 21
41 1.03 10
42 10.25 103
43 99.99 999
44 2.23 22
45 1.04 10
59 6.94 69
74 19.3 193
//
system version 2.2.8-SNAPSHOT