MassBank Record: JP002205



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

ACCESSION: JP002205
RECORD_TITLE: 4-N-AMYLBENZOIC 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$NAME: 4-N-AMYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18O2 CH$EXACT_MASS: 206.13068 CH$SMILES: CCCCCc(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C13H18O2/c1-3-4-5-6-11-7-9-12(10-8-11)13(14)15-2/h7-10H,3-6H2,1-2H3
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$SPLASH: splash10-0k96-4910000000-564da4d816cdbfa3fa2e PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 42 2.2 22 45 3.4 34 51 3.4 34 55 0.22 2 59 5.7 57 62 3.4 34 63 3.4 34 64 0.22 2 65 10.3 103 76 6.8 68 77 10.3 103 78 0.45 5 79 2.2 22 89 12.6 126 90 18.3 183 91 99.99 999 92 5.7 57 102 5.7 57 103 4.5 45 104 0.22 2 105 19.5 195 106 8 80 107 6.8 68 110 0.22 2 115 6.8 68 117 2.2 22 118 32.1 321 119 2.75 28 121 22.9 229 122 4.5 45 123 3.4 34 131 0.45 5 133 2.2 22 134 2.2 22 135 13.7 137 145 0.45 5 146 4.5 45 147 9.1 91 148 3.4 34 149 6.78 68 150 97.7 977 151 8 80 152 4.5 45 161 0.45 5 163 9.1 91 164 4.5 45 165 4.5 45 167 0.22 2 175 51.7 517 176 9.1 91 178 2.2 22 180 0.57 6 205 5.7 57 206 45.9 459 207 5.7 57 208 0.34 3 219 5.7 57 //