MassBank Record: KZ000064



 Niacinamide; GC-EI-TOF; MS; 1 TMS; BP:179 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000064
RECORD_TITLE: Niacinamide; GC-EI-TOF; MS; 1 TMS; BP:179
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01622_P000150

CH$NAME: Nicotinamide CH$NAME: Niacinamide CH$COMPOUND_CLASS: Natural Product CH$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$LINK: KEGG C00153 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1738.6 AC$CHROMATOGRAPHY: RETENTION_TIME 812.812 sec
MS$FOCUSED_ION: BASE_PEAK 179 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-004i-0900000000-acb6a21304b0c09c8472 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 82 9 9 83 6 6 84 5 5 85 3 3 86 6 6 87 1 1 88 1 1 89 5 5 90 5 5 91 3 3 92 6 6 93 11 11 94 11 11 95 3 3 96 1 1 97 1 1 100 34 34 101 2 2 102 4 4 103 17 17 104 331 331 105 181 181 106 49 49 107 7 7 108 5 5 109 5 5 110 3 3 116 1 1 118 4 4 119 13 13 120 10 10 121 3 3 122 25 25 123 2 2 124 1 1 131 2 2 132 2 2 133 1 1 134 7 7 135 7 7 136 416 416 137 37 37 138 6 6 147 4 4 148 1 1 149 4 4 150 7 7 151 5 5 152 1 1 161 4 4 162 1 1 163 11 11 164 2 2 165 5 5 166 2 2 175 11 11 176 1 1 177 2 2 178 4 4 179 999 999 180 90 90 181 8 8 192 1 1 193 64 64 194 29 29 195 2 2 //

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