MassBank Record: JP002185



 CIS-9-HEXADECENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002185
RECORD_TITLE: CIS-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$NAME: CIS-9-HEXADECENOIC ACID METHYL ESTER CH$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$SPLASH: splash10-05nb-9300000000-86e7cd0e221b6d5090cf PK$NUM_PEAK: 96 PK$PEAK: m/z int. rel.int. 42 1.4 14 43 1.8 18 53 7.3 73 54 2.02 20 55 99.99 999 56 18.9 189 57 17.7 177 65 0.22 2 66 1.4 14 67 34 340 68 20.4 204 69 6.22 62 70 14.2 142 71 5.9 59 73 2.6 26 74 4.44 44 75 7.5 75 77 2.2 22 78 1.2 12 79 0.85 9 80 5.3 53 81 29.3 293 82 20.8 208 83 4.3 43 84 34.8 348 85 7.5 75 87 38.1 381 88 0.26 3 91 2.4 24 93 4.8 48 94 6.1 61 95 1.93 19 96 38.5 385 97 35.5 355 98 33.8 338 99 0.44 4 100 1.6 16 101 6.7 67 102 1.4 14 105 0.14 1 106 1.2 12 107 3.2 32 108 3.2 32 109 1.2 12 110 18.9 189 111 19.1 191 112 7.3 73 113 0.34 3 114 2.8 28 115 4.8 48 119 4.2 42 120 0.22 2 121 4.4 44 122 3 30 123 13.2 132 124 1.02 10 125 8.5 85 126 3 30 127 3.4 34 128 0.42 4 129 3.2 32 133 2.8 28 134 3.2 32 135 0.44 4 136 2.8 28 137 7.7 77 138 9.1 91 139 0.53 5 141 6.9 69 143 2.4 24 147 1.8 18 148 0.28 3 149 2.4 24 150 1.8 18 151 5.1 51 152 1.46 15 153 4 40 154 1.2 12 155 2 20 161 0.18 2 165 3.6 36 166 2.6 26 172 1.2 12 175 0.16 2 179 1.6 16 180 1.6 16 192 5.1 51 193 0.36 4 194 12.4 124 195 2.4 24 208 1.6 16 218 0.16 2 236 15.9 159 237 11.6 116 238 1.8 18 268 3.8 38 //