MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002104
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002104
RECORD_TITLE: METHOXY ACETIC ACID; 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$NAME: METHOXY ACETIC ACID
CH$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$LINK: COMPTOX
DTXSID1031591
CH$LINK: INCHIKEY
RMIODHQZRUFFFF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12251
AC$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: splash10-0002-9000000000-459a9fd6341faa2d6199
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
14 2.29 23
15 15.37 154
28 1.43 14
29 22.57 226
30 2.74 27
31 10.86 109
42 4.69 47
43 1.6 16
44 10.51 105
45 99.99 999
46 2.86 29
59 1.14 11
60 22 220
//