MassBank Record: JP002204



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

ACCESSION: JP002204
RECORD_TITLE: 4-N-BUTYLBENZOIC 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$NAME: 4-N-BUTYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCCCc(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3
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$SPLASH: splash10-0gvp-3900000000-096bbde31a3692198c42 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 45 5.4 54 50 4.5 45 51 6.3 63 52 0.27 3 53 6.3 63 55 5.4 54 58 5.4 54 62 0.27 3 63 5.4 54 65 7.2 72 66 1.8 18 77 0.99 10 78 4.5 45 79 2.7 27 89 10.8 108 90 1.62 16 91 96.3 963 92 6.3 63 102 3.6 36 103 0.45 5 104 4.5 45 105 2.7 27 107 5.4 54 110 0.45 5 115 5.4 54 116 4.5 45 118 17.1 171 119 1.44 14 120 3.6 36 121 28.8 288 131 5.4 54 133 1.53 15 134 5.4 54 135 9 90 141 1.8 18 143 0.27 3 149 87.3 873 150 99.99 999 151 8.1 81 152 0.27 3 161 66.6 666 162 10.8 108 163 5.4 54 164 0.36 4 178 5.4 54 191 5.4 54 192 54.9 549 193 5.4 54 //