MassBank Record: JP007016



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

ACCESSION: JP007016
RECORD_TITLE: HEPTYL NONANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL NONANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H32O2 CH$EXACT_MASS: 256.24023 CH$SMILES: CCCCCCCCC(=O)OCCCCCCC CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3 CH$LINK: INCHIKEY ARSLOAKOWGOSEX-UHFFFAOYSA-N
AC$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: splash10-0a4l-9100000000-cc9f1c2e7e45adbb7aa9 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 27 14.94 149 29 31.96 320 31 1.23 12 39 8.88 89 41 60.61 606 42 19.57 196 43 68.83 688 44 1.53 15 45 1.68 17 53 2.62 26 54 4.62 46 55 47.02 470 56 52.95 530 57 99.99 999 58 4 40 59 1.46 15 60 14.78 148 61 35.41 354 67 3.88 39 68 10.44 104 69 31.83 318 70 47.97 480 71 21.9 219 72 1.12 11 73 18.03 180 74 1.55 16 81 3.64 36 82 1.49 15 83 10.95 110 84 5.27 53 85 1.61 16 87 4.2 42 89 2.66 27 96 1.98 20 97 5.5 55 98 72.64 726 99 5.13 51 101 3.14 31 103 1.93 19 112 2.8 28 115 6.36 64 116 1.75 18 127 1.31 13 129 4.87 49 139 1.11 11 141 32.45 325 142 2.36 24 143 1.76 18 145 2.59 26 158 6.15 62 159 67.19 672 160 5.19 52 //