MassBank Record: JP006418



 ALPHA-METHYLBENZYL BUTYRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006418
RECORD_TITLE: ALPHA-METHYLBENZYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-METHYLBENZYL BUTYRATE CH$NAME: METHYL PHENYL CARBINYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCCC(=O)OC(C)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3 CH$LINK: INCHIKEY GGKADXREVJTZMF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-0kor-6900000000-c5c8fd3d6bf4a7182eb4 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 15 1.06 11 27 17.2 172 28 1.48 15 29 1.92 19 39 10.04 100 41 11.43 114 42 2.17 22 43 41.78 418 44 1.02 10 50 2.87 29 51 12.2 122 52 2.45 25 53 1.29 13 55 1.11 11 63 1.96 20 65 1.41 14 71 34.37 344 72 1.14 11 76 1.22 12 77 28.49 285 78 13.37 134 79 14.77 148 89 1.6 16 91 1.4 14 102 1.47 15 103 13.47 135 104 71.79 718 105 99.99 999 106 9.05 91 107 5.93 59 121 5.58 56 122 73.12 731 123 6.62 66 192 11.71 117 193 1.32 13 //