MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002116
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002116
RECORD_TITLE: METHOXY ACETIC ACID METHYL ESTER; 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$NAME: METHOXY ACETIC ACID METHYL ESTER
CH$NAME: METHYL METHOXY ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O3
CH$EXACT_MASS: 104.04734
CH$SMILES: COCC(=O)OC
CH$IUPAC: InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3
CH$LINK: INCHIKEY
QRMHDGWGLNLHMN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3074608
AC$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: splash10-0002-9000000000-3df00b19857674681d71
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
15 17.93 179
28 1.06 11
29 12.63 126
31 2.44 24
42 4.16 42
43 4.81 48
44 2.04 20
45 99.99 999
46 1.79 18
59 3.26 33
74 23.55 236
75 5.05 51
//