MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011660
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011660
RECORD_TITLE: SUCCINIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: SUCCINIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O4
CH$EXACT_MASS: 118.02661
CH$SMILES: OC(=O)CCC(O)=O
CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
CH$LINK: CAS
110-15-6
CH$LINK: NIKKAJI
J2.879G
CH$LINK: INCHIKEY
KDYFGRWQOYBRFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023602
AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0kos-9100000000-f1df0903a24c305e68ec
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
14 2.53 25
15 2.22 22
18 3.27 33
19 1.9 19
25 2.1 21
26 16.06 161
27 54.84 548
28 57.49 575
29 33.95 340
30 9.05 91
31 5.43 54
41 1.36 14
42 9.24 92
43 7.53 75
44 3.75 38
45 80.83 808
46 8.7 87
47 3.32 33
53 4.03 40
54 1.45 15
55 99.99 999
56 25.63 256
57 2.52 25
63 1.01 10
71 1.53 15
72 18.03 180
73 66.22 662
74 89.89 899
75 3.28 33
100 61.47 615
101 46.91 469
102 2.24 22
119 1.77 18
//
system version 2.2.6-SNAPSHOT