MassBank Record: JP002193



 10-UNDECENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002193
RECORD_TITLE: 10-UNDECENOIC 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$NAME: 10-UNDECENOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O2 CH$EXACT_MASS: 198.16198 CH$SMILES: C=CCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
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$SPLASH: splash10-00m0-9200000000-050afee53e08a93ecb26 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 42 3 30 47 1 10 50 1.3 13 51 0.2 2 52 2.6 26 53 12 120 54 24 240 55 5.93 59 56 20 200 57 15 150 58 1 10 59 2.43 24 65 3.6 36 66 1.6 16 67 49.3 493 68 3.36 34 69 69.3 693 70 10.6 106 71 5.6 56 72 0.33 3 73 13.3 133 74 42 420 75 18.3 183 77 0.23 2 78 1.6 16 79 10 100 80 7.3 73 81 3.3 33 82 57 570 83 72 720 84 56 560 85 1.23 12 86 2 20 87 99.99 999 88 10 100 91 0.3 3 93 6.6 66 94 9.3 93 95 16.6 166 96 6.86 69 97 34.6 346 98 35.3 353 99 6 60 100 0.2 2 101 13.3 133 102 2 20 106 1.3 13 107 0.6 6 108 2.3 23 109 11 110 110 15.6 156 111 1.16 12 112 1.6 16 113 5.6 56 114 9.6 96 115 0.86 9 116 1 10 118 1.6 16 119 8 80 120 0.1 1 121 1.6 16 122 11.6 116 123 20.3 203 124 5.36 54 125 13.3 133 127 2.6 26 128 4.3 43 129 0.16 2 133 2 20 137 14.6 146 138 7.6 76 139 0.1 1 141 2.6 26 143 1 10 148 8 80 149 1.76 18 150 2 20 151 1.6 16 154 1 10 155 0.3 3 166 16.3 163 167 5.6 56 198 1.3 13 //