MassBank Record: JP002221



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

ACCESSION: JP002221
RECORD_TITLE: PARA-ANISIC 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$NAME: PARA-ANISIC ACID METHYL ESTER CH$NAME: METHYL 4-METHOXYBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O3 CH$EXACT_MASS: 166.06299 CH$SMILES: COc(c1)ccc(c1)C(=O)OC CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
AC$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: splash10-014r-6900000000-ea0c740f9da9c4c70539 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 37 1.9 19 38 7.3 73 39 4.1 41 50 1.05 11 51 4.7 47 52 2.2 22 53 3.1 31 62 0.41 4 63 17.8 178 64 23.3 233 65 2.8 28 66 0.19 2 75 4.7 47 76 6.3 63 77 54.3 543 78 0.44 4 79 4.1 41 92 30.9 309 93 1.9 19 103 0.15 2 104 2.2 22 105 1.5 15 107 46.9 469 108 0.44 4 119 2.5 25 120 2.2 22 121 2.2 22 123 0.28 3 135 53.3 533 136 26.5 265 137 2.5 25 165 0.51 5 166 99.99 999 167 11.1 111 //