MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004275
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004275
RECORD_TITLE: METHYL METHOXYACETATE (1,1,1-D3); 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$NAME: METHYL METHOXYACETATE (1,1,1-D3)
CH$NAME: METHOXYACETIC ACID METHYL ESTER (1,1,1-D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O3
CH$EXACT_MASS: 104.04734
CH$SMILES: [2H]C([2H])([2H])OC(=O)COC
CH$IUPAC: InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3/i2D3
CH$LINK: INCHIKEY
QRMHDGWGLNLHMN-BMSJAHLVSA-N
CH$LINK: PUBCHEM
CID:101624464
AC$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: splash10-002b-9000000000-330a755969c71416939a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
14 2.87 29
15 17.2 172
16 1.79 18
18 15.27 153
28 4.01 40
29 28.67 287
30 6.31 63
31 2.87 29
32 2.15 22
33 4.3 43
42 8.6 86
43 4.09 41
44 13.62 136
45 99.99 999
46 2.22 22
48 8.32 83
62 2.87 29
77 25.52 255
78 5.73 57
//