MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004272
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004272
RECORD_TITLE: MALEIC ACID MONOMETHYL 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$NAME: MALEIC ACID MONOMETHYL ESTER
CH$NAME: CIS-BUTENEDIOIC ACID MONOMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6O4
CH$EXACT_MASS: 130.02661
CH$SMILES: COC(=O)C=CC(O)=O
CH$IUPAC: InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
CH$LINK: INCHIKEY
NKHAVTQWNUWKEO-IHWYPQMZSA-N
CH$LINK: COMPTOX
DTXSID1029251
AC$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: splash10-0w4i-9200000000-7ecdda048539e621b07d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 20.72 207
25 9.28 93
26 71.96 720
27 3.92 39
28 6.19 62
29 23.71 237
30 3.09 31
31 31.96 320
32 22.89 229
41 4.12 41
44 11.13 111
53 12.37 124
54 99.99 999
55 5.57 56
59 16.7 167
82 2.58 26
85 11.24 112
98 21.65 217
99 3.71 37
113 81.13 811
114 6.6 66
//