MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003892
RECORD_TITLE: MALONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: MALONIC ACID
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-6c56a402111059603ba4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
12 2.8 28
13 2.5 25
14 3.2 32
15 1 10
16 3.1 31
17 2.3 23
18 3.5 35
22 0.21 2
28 8 80
29 2.7 27
36 2.6 26
41 0.25 3
42 6 60
43 36.3 363
44 99.99 999
45 3.91 39
60 33.6 336
92 2.3 23
//