MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005398
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005398
RECORD_TITLE: MALONIC 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$NAME: MALONIC ACID
CH$NAME: PROPANEDIOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H4O4
CH$EXACT_MASS: 104.01096
CH$SMILES: OC(=O)CC(O)=O
CH$IUPAC: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
CH$LINK: INCHIKEY
OFOBLEOULBTSOW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021659
AC$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: splash10-0006-9000000000-f239df8fdd12e9a74445
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
12 4.79 48
13 3.76 38
14 11.29 113
15 29.55 296
16 5.61 56
17 1.44 14
18 2.39 24
22 1.78 18
28 10.74 107
29 6.63 66
31 2.19 22
41 2.12 21
42 7.32 73
43 52.33 523
44 99.99 999
45 45.83 458
46 1.09 11
60 25.31 253
//