MassBank Record: JP002788



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

ACCESSION: JP002788
RECORD_TITLE: AMINOGLUTETHIMIDE; 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$NAME: AMINOGLUTETHIMIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H16N2O2 CH$EXACT_MASS: 232.12118 CH$SMILES: Nc(c2)ccc(c2)C(CC)(C1)C(=O)NC(=O)C1 CH$IUPAC: InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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: splash10-0ue9-5960000000-f9b33cb2d18e6b01ae76 PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 39 6 60 40 3.3 33 41 5.9 59 42 0.3 3 43 3.1 31 44 3.9 39 45 0.9 9 50 0.17 2 51 4 40 52 3.1 31 53 3 30 54 0.37 4 55 4.8 48 56 2.7 27 57 3.4 34 58 0.01 0 63 3.1 31 64 1.9 19 65 7.8 78 66 0.39 4 67 3.1 31 68 1.3 13 69 2.5 25 70 0.02 0 71 2.7 27 72 0.1 1 73 0.9 9 74 0.09 1 75 1.9 19 76 2 20 77 7.9 79 78 0.37 4 79 2.9 29 80 1.9 19 81 1.9 19 82 0.28 3 83 2 20 84 0.9 9 88 2.3 23 89 0.03 0 90 2 20 91 5.9 59 92 2.9 29 93 0.66 7 94 5.7 57 95 1.9 19 101 1 10 102 0.02 0 103 3.9 39 104 3.8 38 105 2.8 28 106 0.06 1 107 2.3 23 108 0.9 9 114 0.9 9 115 0.08 1 116 3.6 36 117 9.9 99 118 10.9 109 119 0.43 4 120 2.7 27 121 1.4 14 122 0.2 2 127 0.19 2 128 1.8 18 129 1.9 19 130 11 110 131 0.69 7 132 36.7 367 133 6.4 64 134 1.7 17 142 0.09 1 143 2.3 23 144 3 30 145 3.9 39 146 0.67 7 147 7.3 73 148 3.1 31 149 1.9 19 150 0.01 0 151 0.3 3 158 3.8 38 159 2.6 26 160 0.95 10 161 3.7 37 162 1.9 19 172 3 30 173 0.01 0 174 1.7 17 175 32.5 325 176 5.1 51 177 0.25 3 186 0.9 9 187 6.9 69 188 2.3 23 203 99.99 999 204 16.9 169 205 2.6 26 231 0.2 2 232 0.65 7 233 11.4 114 234 1.9 19 //