MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009206
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009206
RECORD_TITLE: METHOXYACETIC ACID; 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$NAME: METHOXYACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O3
CH$EXACT_MASS: 90.03169
CH$SMILES: COCC(O)=O
CH$IUPAC: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
CH$LINK: INCHIKEY
RMIODHQZRUFFFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1031591
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$SPLASH: splash10-0002-9000000000-00eacd2cc9c79e884a7f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
13 1.05 11
14 3.6 36
15 19.84 198
27 1.56 16
29 38.62 386
30 2.5 25
31 15.02 150
39 1.17 12
41 2.53 25
42 8.11 81
43 1.72 17
44 1.84 18
45 99.99 999
46 2.88 29
59 1.14 11
60 26.86 269
61 1.4 14
69 1.21 12
//