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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005371

(Z)-7-HEXADECENYL ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005371
RECORD_TITLE: (Z)-7-HEXADECENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z)-7-HEXADECENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O2
CH$EXACT_MASS: 282.25588
CH$SMILES: CCCCCCCCC([H])=C([H])CCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3/b11-10-
CH$LINK: INCHIKEY QVXFGVVYTKZLJN-KHPPLWFESA-N

AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-008a-9300000000-567852ea0100554efab1
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  43 2.4 24
  44 16 160
  45 1.2 12
  46 0.22 2
  54 19.2 192
  55 17.5 175
  56 5.9 59
  57 0.9 9
  61 4.4 44
  66 7.8 78
  67 51.6 516
  68 3.73 37
  69 21.3 213
  70 5.1 51
  71 3.9 39
  79 0.11 1
  80 3.4 34
  81 58.1 581
  82 99.99 999
  83 2.93 29
  84 3.3 33
  85 1.8 18
  94 3.2 32
  95 4.79 48
  96 88.8 888
  97 24.2 242
  98 2.9 29
  109 3.82 38
  110 34.8 348
  111 9.5 95
  112 1.5 15
  122 0.24 2
  123 22.7 227
  124 26.5 265
  125 4.3 43
  136 0.16 2
  137 13.9 139
  138 16.3 163
  139 2.5 25
  140 0.16 2
  151 3.7 37
  152 6.3 63
  153 1.3 13
  165 0.47 5
  166 8.5 85
  167 1.3 13
  179 2 20
  180 0.28 3
  193 1.4 14
  194 5.9 59
  195 1.2 12
  221 0.29 3
  222 32.8 328
  223 6.1 61
//

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