MassBank Record: JP006383



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

ACCESSION: JP006383
RECORD_TITLE: HELIOTROPYL ACETATE; 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$NAME: HELIOTROPYL ACETATE CH$NAME: 3,4-METHYLENEDIOXYBENZYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: CC(=O)OCc(c1)cc(O2)c(OC2)c1 CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3 CH$LINK: INCHIKEY PFWYHTORQZAGCA-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$SPLASH: splash10-0f76-4900000000-92da8e820031602709c7 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 15 3.05 31 27 1.2 12 29 2.27 23 38 2.09 21 39 7.93 79 42 1.45 15 43 28.89 289 50 5.94 59 51 18.96 190 52 1.68 17 53 2.78 28 62 2.72 27 63 8.13 81 64 2.07 21 65 14.25 143 66 1.87 19 67 3.12 31 74 1.3 13 75 1.22 12 76 13.01 130 77 22.65 227 78 3.36 34 79 5.02 50 91 1.34 13 93 11.2 112 94 2.18 22 104 10.45 105 105 10.1 101 106 1.34 13 121 3.5 35 122 10.86 109 123 4.94 49 134 38.48 385 135 99.99 999 136 9.21 92 149 4.45 45 150 1.54 15 151 7.52 75 152 56.02 560 153 4.44 44 194 63.59 636 195 7.24 72 //