MassBank Record: JP010075



 N-(3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAEN-1-YL)-EPSILON-CAPROLACTAM; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010075
RECORD_TITLE: N-(3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAEN-1-YL)-EPSILON-CAPROLACTAM; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: N-(3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAEN-1-YL)-EPSILON-CAPROLACTAM CH$NAME: 1-(3,7,11,15-TETRAMETHYL-2,6,10,14-HEXADECATETRAEN-1-YL)-AZACYCLOHEPTAN-2-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H43NO CH$EXACT_MASS: 385.33447 CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN(C1)C(=O)CCCC1 CH$IUPAC: InChI=1S/C26H43NO/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)19-21-27-20-8-6-7-18-26(27)28/h12,14,16,19H,6-11,13,15,17-18,20-21H2,1-5H3/b23-14+,24-16+,25-19+ CH$LINK: INCHIKEY CEMMKPPUZSMGFQ-PHPAXXOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300 AC$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$SPLASH: splash10-003s-5920000000-ffe1f8ac06f524066a17 PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 29 1.2 12 30 5.6 56 39 5.5 55 41 2.53 25 43 5.1 51 44 1.9 19 53 7.6 76 55 1.74 17 56 6.7 67 57 2.7 27 67 7.5 75 68 0.78 8 69 47.6 476 70 3.8 38 71 4.1 41 77 0.41 4 79 4.4 44 80 6.2 62 81 12.8 128 82 0.36 4 83 3.1 31 84 5.4 54 85 4.5 45 91 0.72 7 93 12.2 122 94 6.3 63 95 6.2 62 96 1.96 20 97 7.3 73 98 15.2 152 99 5.6 56 105 0.68 7 107 6 60 108 4.3 43 109 4.7 47 112 0.5 5 114 24.5 245 119 3.3 33 121 5.8 58 122 0.5 5 123 5.6 56 126 96.6 966 127 11.2 112 133 0.5 5 134 4.7 47 135 12.3 123 136 5.6 56 137 0.42 4 138 12.4 124 147 5.4 54 148 4.4 44 152 0.73 7 161 4.5 45 166 4.3 43 167 4 40 179 0.54 5 180 99.99 999 181 14.6 146 182 4.9 49 192 0.5 5 203 6.9 69 248 63.7 637 249 12.2 122 250 0.42 4 272 4 40 316 9.7 97 317 4.2 42 385 4.5 45 //

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