MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002890
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002890
RECORD_TITLE: SUCCINONITRILE; 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$NAME: SUCCINONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H4N2
CH$EXACT_MASS: 80.03745
CH$SMILES: N#CCCC#N
CH$IUPAC: InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
CH$LINK: INCHIKEY
IAHFWCOBPZCAEA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026059
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: splash10-0ufu-9100000000-be8dd1d9da4b1e490786
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
16 3.33 33
18 33.7 337
26 19.77 198
27 6.41 64
29 7.61 76
31 8.41 84
32 22.32 223
38 4.2 42
39 8.68 87
40 52.63 526
41 14.8 148
42 7.63 76
44 33.77 338
45 2.91 29
51 11.83 118
52 18.25 183
53 99.99 999
54 11.16 112
56 6.11 61
57 6.61 66
64 4.37 44
67 6.99 70
69 2.24 22
70 2.15 22
73 5.55 56
77 2.52 25
79 40.28 403
80 17.35 174
99 7.65 77
100 7.52 75
101 5.92 59
102 7.71 77
109 2.22 22
114 3.12 31
126 2.92 29
127 3.93 39
141 2.42 24
143 2.49 25
145 8.36 84
149 3.67 37
150 3.19 32
165 3.78 38
261 2.16 22
//
system version 2.2.6-SNAPSHOT