ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007723
RECORD_TITLE: NERAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: NERAL
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
CH$LINK: INCHIKEY WTEVQBCEXWBHNA-YFHOEESVSA-N
CH$LINK: COMPTOX DTXSID60881216

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kf-9000000000-1c2707e2191fcc6e980d
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  40 1.4 14
  41 99.99 999
  42 4.4 44
  43 0.54 5
  51 2.5 25
  52 1 10
  53 7.5 75
  54 0.18 2
  55 4.4 44
  56 2.8 28
  59 2.9 29
  65 0.17 2
  67 5.5 55
  69 58.7 587
  70 3.9 39
  77 0.15 2
  79 2.1 21
  80 1.1 11
  81 3.4 34
  82 0.25 3
  83 5.6 56
  84 13.6 136
  91 1.5 15
  94 0.66 7
  95 2.3 23
  109 3.6 36
  123 2.7 27
  137 0.29 3
  152 0.5 5
//