MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005691
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005691
RECORD_TITLE: N-ETHYLMALEIMIDE; 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$NAME: N-ETHYLMALEIMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO2
CH$EXACT_MASS: 125.04768
CH$SMILES: CCn(c(=O)1)c(=O)cc1
CH$IUPAC: InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
CH$LINK: CAS
128-53-0
CH$LINK: INCHIKEY
HDFGOPSGAURCEO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059573
AC$INSTRUMENT: HITACHI M-80
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: splash10-004i-9100000000-48f43555ac8c500a19ef
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
14 3.38 34
15 14.22 142
16 2.07 21
18 6.05 61
25 7.14 71
26 99.99 999
27 49.76 498
28 79.27 793
29 20.07 201
30 4.02 40
31 2.42 24
32 7.5 75
36 1.3 13
37 6.14 61
38 9.07 91
40 31.6 316
41 37.93 379
42 67.15 672
44 37.07 371
45 2.66 27
50 1.52 15
51 2.67 27
52 6.89 69
53 38.75 388
54 68.21 682
55 24.01 240
56 19.58 196
57 1.36 14
61 0.98 10
63 0.74 7
64 0.64 6
68 1.7 17
69 3.06 31
70 2.74 27
71 1.29 13
80 2.03 20
82 21.16 212
83 1.52 15
96 2.93 29
110 64.04 640
111 3.62 36
124 1.39 14
125 57.07 571
126 4.84 48
//