MassBank Record: JP001131



 DIMETHYL 4-METHYL-3-HEPTENEDIOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001131
RECORD_TITLE: DIMETHYL 4-METHYL-3-HEPTENEDIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL 4-METHYL-3-HEPTENEDIOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16O4 CH$EXACT_MASS: 200.10486 CH$SMILES: COC(=O)CCC(C)=CCC(=O)OC CH$IUPAC: InChI=1S/C10H16O4/c1-8(4-6-9(11)13-2)5-7-10(12)14-3/h4H,5-7H2,1-3H3/b8-4+
AC$INSTRUMENT: HITACHI RMU-6L AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-003u-9200000000-2353c461f044f62ee4af PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 26 4 40 27 34 340 28 29 290 29 15 150 30 2 20 31 5 50 32 6 60 33 2 20 38 2 20 39 32 320 40 9 90 41 42 420 42 8 80 43 36 360 44 2 20 45 9 90 50 3 30 51 7 70 52 5 50 53 29 290 54 6 60 55 22 220 56 2 20 57 9 90 58 2 20 59 40 400 60 2 20 63 3 30 65 7 70 66 5 50 67 36 360 68 11 110 69 5 50 70 1 10 71 3 30 72 1 10 73 1 10 74 5 50 75 1 10 77 5 50 78 3 30 79 17 170 80 18 180 81 99.99 999 93 2 20 94 2 20 95 13 130 96 2 20 97 4 40 98 32 320 99 22 220 100 2 20 107 2 20 108 25 250 109 29 290 110 4 40 111 3 30 112 3 30 113 1 10 115 3 30 123 1 10 125 7 70 126 2 20 127 3 30 128 1 10 130 1 10 135 1 10 136 18 180 137 16 160 138 3 30 139 2 20 140 17 170 141 16 160 142 2 20 143 1 10 168 23 230 169 5 50 170 1 10 200 2 20 201 1 10 //