MassBank Record: JP003098



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

ACCESSION: JP003098
RECORD_TITLE: ALLOBARBITAL                           REG#      -  -; 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$NAME: ALLOBARBITAL REG# - - CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12N2O3 CH$EXACT_MASS: 208.08479 CH$SMILES: C=CCC(CC=C)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
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: splash10-014l-9500000000-830bf2be43ff02dbb120 PK$NUM_PEAK: 121 PK$PEAK: m/z int. rel.int. 26 6 60 27 28.5 285 28 45 450 29 0.41 4 30 1.7 17 31 0.5 5 32 48 480 36 0.29 3 37 2.3 23 38 4.8 48 39 45.4 454 40 0.98 10 41 89.6 896 42 8.9 89 43 18 180 44 1.57 16 45 1.2 12 46 0.2 2 49 1 10 50 0.57 6 51 12 120 52 15 150 53 34 340 54 0.08 1 55 5.7 57 56 4 40 57 2 20 61 0.01 0 62 1.5 15 63 3.4 34 64 1.9 19 65 0.88 9 66 7.6 76 67 13.8 138 68 27.1 271 69 0.42 4 70 8.6 86 71 1 10 75 1 10 76 0.01 0 77 12.1 121 78 9.6 96 79 15.7 157 80 5.85 59 81 13.4 134 82 3.9 39 83 3 30 84 0.07 1 85 1 10 89 1 10 90 0.6 6 91 0.88 9 92 4.5 45 93 5.2 52 94 4.8 48 95 0.52 5 96 14.1 141 97 8.1 81 98 9.3 93 99 0.19 2 100 0.3 3 103 1 10 104 1.7 17 105 0.16 2 106 19 190 107 4.7 47 108 3 30 109 0.03 0 110 1.4 14 111 1 10 112 0.4 4 117 0.07 1 118 1.3 13 119 1.4 14 120 3.8 38 121 0.03 0 122 7.4 74 123 5.6 56 124 68.5 685 125 0.06 1 126 1.3 13 129 1.2 12 134 0.3 3 135 0.04 0 136 4.2 42 137 3 30 138 2 20 139 0.12 1 140 0.6 6 141 21.5 215 142 3 30 143 0.06 1 147 1 10 148 2 20 149 2 20 150 0.48 5 151 5 50 152 4 40 153 4.1 41 154 0.06 1 155 1 10 163 1 10 164 1.4 14 165 0.2 2 166 41 410 167 99.99 999 168 11.5 115 169 0.18 2 179 14 140 180 8 80 181 2 20 182 0.01 0 190 8 80 191 1 10 192 3 30 193 0.15 2 194 2 20 207 1 10 208 13.2 132 209 0.23 2 210 0.6 6 //