MassBank Record: JP006993



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

ACCESSION: JP006993
RECORD_TITLE: HEPTYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL HEXANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H26O2 CH$EXACT_MASS: 214.19328 CH$SMILES: CCCCCCCOC(=O)CCCCC CH$IUPAC: InChI=1S/C13H26O2/c1-3-5-7-8-10-12-15-13(14)11-9-6-4-2/h3-12H2,1-2H3 CH$LINK: INCHIKEY QEKCBKVWQYEUGY-UHFFFAOYSA-N
AC$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: splash10-0aov-9100000000-a3f7da3a3184f4cd0891 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 26 1.35 14 27 24.38 244 29 41.01 410 30 1.02 10 31 1.52 15 39 14.84 148 41 69.79 698 42 27.78 278 43 99.99 999 44 2.34 23 45 2.51 25 53 3.26 33 54 4.44 44 55 48.61 486 56 67.71 677 57 68.03 680 58 3.12 31 59 1.23 12 60 14.84 148 61 26.08 261 67 2.12 21 68 9.57 96 69 35.94 359 70 60.43 604 71 32.16 322 72 1.65 17 73 15.06 151 74 1.51 15 75 1.6 16 81 1.6 16 83 7.22 72 84 1.22 12 87 8.33 83 89 3.42 34 97 3.58 36 98 62.53 625 99 73.37 734 100 4.23 42 101 1.56 16 113 1.12 11 115 1.36 14 116 6.35 64 117 97.22 972 118 5.24 52 143 1.84 18 //