MassBank Record: JP002184



 TRANS-9-HEXADECENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002184
RECORD_TITLE: TRANS-9-HEXADECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-9-HEXADECENOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H32O2 CH$EXACT_MASS: 268.24023 CH$SMILES: CCCCCCC=CCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-067j-9300000000-429d2c647fb476c71995 PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 43 2.5 25 44 2.5 25 53 7.6 76 54 2.11 21 55 99.99 999 56 23 230 57 21.1 211 59 0.83 8 62 1.9 19 65 3.2 32 67 40.3 403 68 2.3 23 69 69.8 698 70 17.3 173 71 8.3 83 73 0.38 4 74 49.3 493 75 7.6 76 77 5.1 51 79 1.02 10 80 5.7 57 81 35.2 352 82 27.5 275 83 4.93 49 84 42.9 429 85 7 70 87 39.1 391 88 0.57 6 89 3.2 32 91 5.1 51 93 5.1 51 94 0.7 7 95 21.7 217 96 44.2 442 97 42.3 423 98 3.71 37 99 5.1 51 100 3.2 32 101 6.4 64 102 0.38 4 103 1.9 19 105 1.9 19 106 3.8 38 107 0.51 5 108 6.4 64 109 14.7 147 110 23.7 237 111 2.11 21 112 8.9 89 113 3.2 32 114 6.4 64 115 0.57 6 118 1.9 19 119 4.4 44 120 4.4 44 121 0.57 6 122 5.1 51 123 16.6 166 124 10.8 108 125 1.02 10 127 3.8 38 128 3.2 32 129 4.4 44 133 0.19 2 134 5.7 57 135 7 70 136 3.8 38 137 0.89 9 138 10.8 108 139 6.4 64 141 8.9 89 143 0.25 3 144 1.9 19 145 2.5 25 148 4.4 44 150 0.25 3 151 5.7 57 152 16 160 153 4.4 44 154 0.25 3 156 3.2 32 159 1.9 19 161 3.2 32 162 0.25 3 165 4.4 44 166 3.2 32 170 2.5 25 175 0.32 3 179 4.4 44 180 3.2 32 184 1.9 19 192 0.64 6 193 1.9 19 194 14.7 147 195 1.9 19 199 0.25 3 205 2.5 25 208 3.2 32 209 2.5 25 211 0.19 2 215 2.5 25 218 1.9 19 225 1.9 19 236 1.85 19 237 10.2 102 238 2.5 25 268 5.7 57 269 1.9 19 //