MassBank Record: JP002720



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

ACCESSION: JP002720
RECORD_TITLE: L-PYROGLUTAMIC ACID-DI-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: L-PYROGLUTAMIC ACID-DI-TMS CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H23NO3Si2 CH$EXACT_MASS: 273.12165 CH$SMILES: O=C(C1)N([Si](C)(C)C)C([H])(C1)C(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C11H23NO3Si2/c1-16(2,3)12-9(7-8-10(12)13)11(14)15-17(4,5)6/h9H,7-8H2,1-6H3/t9-/m1/s1
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-0ab9-8900000000-a02cb48129ebe2596610 PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 56 0.8 8 41 3.1 31 42 1.5 15 43 4.3 43 44 4.7 47 45 10.4 104 46 0.7 7 47 0.21 2 49 0.1 1 52 0.3 3 54 0.4 4 55 0.19 2 57 1 10 58 2.5 25 59 5.9 59 60 0.05 1 61 1.2 12 62 0.1 1 63 0.1 1 66 0.11 1 67 0.8 8 68 0.4 4 69 0.5 5 70 0.03 0 71 0.7 7 72 2.1 21 73 66.6 666 74 0.64 6 75 16.6 166 76 1 10 77 0.8 8 80 0.02 0 81 0.4 4 82 0.5 5 83 0.7 7 84 0.88 9 85 1.2 12 86 1 10 87 0.2 2 88 0.01 0 89 0.1 1 91 0.2 2 93 1 10 94 0.01 0 95 0.1 1 96 0.2 2 98 1 10 99 0.05 1 100 0.9 9 101 0.1 1 102 0.1 1 103 0.06 1 104 0.1 1 105 0.2 2 111 0.2 2 112 0.07 1 113 0.2 2 114 0.3 3 115 0.4 4 116 0.17 2 117 2 20 118 0.3 3 119 0.2 2 121 0.01 0 122 1.8 18 123 0.1 1 124 0.1 1 125 0.02 0 126 0.2 2 127 0.2 2 128 0.2 2 129 0.11 1 130 0.3 3 131 1.3 13 132 0.7 7 133 0.21 2 134 0.2 2 135 0.1 1 139 0.1 1 141 0.06 1 142 0.5 5 143 0.4 4 144 0.2 2 145 0.08 1 146 0.2 2 147 15.9 159 148 2.5 25 149 0.18 2 150 0.2 2 151 0.3 3 152 0.2 2 153 0.02 0 154 0.5 5 155 0.7 7 156 99.99 999 157 1.43 14 158 5.4 54 159 0.7 7 161 0.1 1 168 0.01 0 170 0.1 1 172 0.1 1 173 0.1 1 174 0.02 0 175 0.1 1 179 0.1 1 180 0.1 1 182 0.01 0 184 0.1 1 185 0.1 1 186 0.7 7 187 0.01 0 188 0.1 1 189 0.1 1 190 0.2 2 201 0.01 0 202 0.1 1 205 0.1 1 207 0.1 1 213 0.01 0 214 0.3 3 216 0.1 1 221 0.2 2 223 0.1 1 224 0.1 1 228 0.4 4 229 0.1 1 230 0.65 7 231 1.1 11 232 0.6 6 233 0.1 1 238 0.01 0 243 0.1 1 247 0.1 1 253 0.1 1 257 0.04 0 258 7.6 76 259 1.5 15 260 0.5 5 261 0.01 0 269 0.1 1 273 0.4 4 274 0.1 1 //