MassBank Record: JP002161



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

ACCESSION: JP002161
RECORD_TITLE: 4-METHYLNONANOIC 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$NAME: 4-METHYLNONANOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCCC(C)CCC(=O)OC CH$IUPAC: InChI=1S/C11H22O2/c1-4-5-6-7-10(2)8-9-11(12)13-3/h10H,4-9H2,1-3H3
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$SPLASH: splash10-000i-9300000000-53ce2f1571d2f336bb11 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 41 1.3 13 43 2.3 23 44 3.7 37 53 0.23 2 54 2.5 25 55 34 340 56 7.6 76 57 1.59 16 67 4.6 46 68 1.8 18 69 26.6 266 70 0.3 3 71 5.7 57 73 3.4 34 74 6.4 64 75 1.55 16 79 1.3 13 81 9.2 92 82 2.3 23 83 1.01 10 84 4.1 41 85 1.3 13 87 99.99 999 88 0.78 8 93 1.3 13 95 5.3 53 97 8.5 85 98 0.23 2 101 11.3 113 103 1.3 13 111 4.1 41 112 0.16 2 115 1.6 16 121 2.5 25 126 1.1 11 129 0.53 5 130 1.1 11 136 1.1 11 137 3.4 34 138 0.13 1 139 3.4 34 143 42.3 423 144 5 50 145 0.18 2 154 1.1 11 155 6.4 64 157 3 30 186 0.6 6 //