MassBank Record: JP002159



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

ACCESSION: JP002159
RECORD_TITLE: 4-BUTOXYBENZOIC 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$NAME: 4-BUTOXYBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O3 CH$EXACT_MASS: 208.10994 CH$SMILES: CCCCOc(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
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$SPLASH: splash10-0fk9-2900000000-e801d65bf9c649a513fe PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 45 1.5 15 50 4.8 48 51 2.7 27 53 0.15 2 55 3.3 33 56 3.9 39 57 9 90 63 0.42 4 64 4.8 48 65 14.1 141 66 1.5 15 67 0.24 2 70 2.1 21 75 1.5 15 76 4.2 42 77 0.12 1 79 1.2 12 82 1.2 12 91 2.7 27 92 0.72 7 93 15 150 94 1.5 15 95 1.5 15 103 0.27 3 107 2.1 21 109 1.5 15 115 1.5 15 119 0.15 2 120 4.2 42 121 96.9 969 122 16.2 162 123 0.3 3 124 1.2 12 135 1.8 18 136 1.5 15 141 0.15 2 147 1.2 12 150 1.2 12 151 7.8 78 152 99.99 999 153 9.3 93 165 1.8 18 177 8.7 87 208 3.49 35 209 4.2 42 210 1.5 15 //