MassBank Record: JP002789



 NIALAMIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002789
RECORD_TITLE: NIALAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: NIALAMIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H18N4O2 CH$EXACT_MASS: 298.14298 CH$SMILES: O=C(CCNNC(=O)c(c2)ccnc2)NCc(c1)cccc1 CH$IUPAC: InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
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: splash10-056u-9500000000-09562bed5beb21b860eb PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 26 4.9 49 27 15.9 159 28 69.9 699 29 0.37 4 30 13.7 137 31 2.7 27 32 15.3 153 36 0.41 4 37 2 20 38 2.9 29 39 9.7 97 40 0.23 2 41 6.9 69 42 4.9 49 43 9 90 44 5.59 56 45 11.1 111 49 2.3 23 50 14.4 144 51 3.91 39 52 9.8 98 53 3.1 31 54 1.8 18 55 1.99 20 56 2.8 28 57 3.8 38 58 1.9 19 59 0.39 4 60 0.9 9 61 0.4 4 62 1.3 13 63 0.39 4 64 2.4 24 65 16.3 163 66 2.4 24 67 0.16 2 68 0.3 3 69 2 20 70 7.9 79 71 0.23 2 72 1.7 17 73 1.3 13 74 1.9 19 75 0.29 3 76 4.1 41 77 16.3 163 78 47.3 473 79 0.25 3 80 2.9 29 81 0.9 9 82 0.8 8 83 0.02 0 84 2.3 23 85 2.3 23 86 1.2 12 87 0.02 0 88 0.9 9 89 3.9 39 90 2.6 26 91 99.99 999 92 8.9 89 93 2.3 23 94 1.3 13 95 0.19 2 96 0.3 3 103 3.1 31 104 12.5 125 105 0.07 1 106 82.2 822 107 22 220 108 3.9 39 109 0.08 1 114 0.3 3 115 2.1 21 116 2.2 22 117 0.94 9 118 5.3 53 119 2.3 23 120 1.1 11 121 0.13 1 122 11.9 119 123 14.8 148 124 2.3 23 125 0.11 1 130 1.1 11 131 1 10 132 3.9 39 133 0.31 3 134 1.7 17 135 1.7 17 136 0.1 1 137 0.06 1 138 1.6 16 143 0.3 3 144 2 20 145 0.11 1 146 1.3 13 147 2 20 148 4.9 49 149 1.16 12 150 7.3 73 151 1.9 19 159 1.7 17 160 0.39 4 161 11.3 113 162 3.5 35 163 1.7 17 164 0.13 1 172 1.2 12 173 0.4 4 174 1.9 19 175 0.13 1 176 4.6 46 177 26.7 267 178 5.3 53 179 0.09 1 180 0.3 3 189 1.9 19 190 0.9 9 191 0.08 1 192 0.3 3 298 2.7 27 299 1.1 11 300 0.2 2 //