MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005706
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005706
RECORD_TITLE: NICOTINAMIDE; 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$NAME: NICOTINAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6N2O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
CH$LINK: CAS
98-92-0
CH$LINK: INCHIKEY
DFPAKSUCGFBDDF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2020929
AC$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: splash10-0kor-9800000000-1809e537780b814af0c9
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
16 0.92 9
17 0.67 7
18 1.55 16
26 2.17 22
27 2.14 21
28 5.07 51
29 0.42 4
37 1.77 18
38 2.49 25
39 3.03 30
40 0.85 9
41 0.89 9
42 0.28 3
43 0.9 9
44 13.77 138
45 0.43 4
48 0.32 3
49 3.63 36
50 18.3 183
51 32.02 320
52 13.26 133
53 3.58 36
66 0.74 7
67 0.73 7
75 2.15 22
76 3.07 31
77 5.99 60
78 60.46 605
79 7.82 78
80 0.44 4
93 0.54 5
94 3.16 32
95 0.3 3
104 0.53 5
105 6.55 66
106 60.91 609
107 4.46 45
108 0.28 3
121 0.14 1
122 99.99 999
123 10.28 103
124 0.68 7
//