MassBank Record: JP002805



 TRI-(2-BUTOXYETHYL)-PHOSPHATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002805
RECORD_TITLE: TRI-(2-BUTOXYETHYL)-PHOSPHATE; 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$NAME: TRI-(2-BUTOXYETHYL)-PHOSPHATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H39O7P CH$EXACT_MASS: 398.24334 CH$SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC CH$IUPAC: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
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: splash10-0a4j-9410000000-f5feea9eb439b65c51e5 PK$NUM_PEAK: 150 PK$PEAK: m/z int. rel.int. 30 3.4 34 31 4.7 47 35 1 10 36 0.8 8 37 0.9 9 38 3.6 36 39 6.7 67 40 0.51 5 41 59.5 595 42 6.9 69 43 12.3 123 44 2.06 21 45 96.3 963 46 5.2 52 47 1.4 14 50 0.15 2 51 1 10 52 0.9 9 53 1.7 17 54 0.05 1 55 23.2 232 56 90.3 903 57 99.99 999 58 1.01 10 59 4.7 47 60 2.8 28 61 1.6 16 63 0.29 3 65 3.5 35 67 1.5 15 68 1.5 15 69 0.44 4 70 3.6 36 71 6.1 61 72 3.7 37 73 0.47 5 75 1.9 19 76 1 10 77 3.7 37 79 0.32 3 80 0.8 8 81 5.7 57 82 5 50 83 0.17 2 84 2.3 23 85 90.1 901 86 7.4 74 87 0.45 5 89 1.8 18 91 2.2 22 92 0.6 6 93 0.01 0 94 1.3 13 95 3.1 31 96 1.5 15 97 0.28 3 98 3.3 33 99 32 320 100 43.4 434 101 7.29 73 102 5.9 59 103 1.1 11 104 0.6 6 105 0.02 0 107 3.7 37 108 4.2 42 109 2.9 29 111 0.11 1 112 5.7 57 113 11.3 113 115 0.9 9 118 0.07 1 119 1.5 15 122 1.2 12 123 4 40 125 6.39 64 126 5.2 52 127 10.6 106 128 1 10 129 0.15 2 131 1.3 13 132 1.4 14 133 1.1 11 135 0.28 3 138 3 30 139 10.8 108 140 3.1 31 141 0.53 5 143 10 100 149 4.7 47 150 1.6 16 151 0.05 1 152 5.1 51 153 27 270 154 13.7 137 155 2.59 26 156 2.8 28 157 4.6 46 161 0.7 7 165 0.12 1 167 2.8 28 168 1.1 11 169 5.3 53 171 0.72 7 173 0.6 6 179 0.7 7 180 2.6 26 182 0.34 3 183 3.7 37 187 1 10 197 3.8 38 198 0.09 1 199 45.7 457 200 4.5 45 201 0.7 7 205 0.07 1 209 2.5 25 211 0.7 7 213 5.3 53 214 0.06 1 225 10.9 109 226 5.1 51 227 17.7 177 228 0.26 3 230 0.7 7 239 1.1 11 243 5.2 52 253 0.54 5 254 2.1 21 255 10 100 256 3.9 39 257 0.15 2 261 0.7 7 269 1.6 16 271 3.5 35 279 0.06 1 298 0.6 6 299 15.7 157 300 4 40 313 0.08 1 315 4.4 44 317 0.8 8 331 0.7 7 355 0.43 4 385 0.7 7 393 1.4 14 394 0.7 7 396 0.07 1 399 0.9 9 429 0.7 7 //