ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007724
RECORD_TITLE: NEROLIDOL; 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$NAME: NEROLIDOL
CH$NAME: (S-(Z))-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: CC(C)=CCCC(C)=C([H])CCC(C)(O)C=C
CH$IUPAC: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
CH$LINK: INCHIKEY FQTLCLSUCSAZDY-QKXCFHHRSA-N
CH$LINK: COMPTOX DTXSID4047048

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$SPLASH: splash10-00kf-9100000000-45f6e3893a44769001ce
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  40 4.8 48
  41 99.99 999
  42 6.9 69
  43 7.1 71
  44 3 30
  45 2.3 23
  51 1.7 17
  53 1.27 13
  54 2 20
  55 34.7 347
  56 2.5 25
  57 0.6 6
  58 1.4 14
  65 2.7 27
  66 1.1 11
  67 2.06 21
  68 8.4 84
  69 81.4 814
  70 7.1 71
  71 3.2 32
  72 2.2 22
  77 5.4 54
  79 15 150
  80 0.89 9
  81 21.5 215
  82 6.6 66
  83 4.4 44
  91 0.78 8
  92 2.5 25
  93 38.7 387
  94 5.3 53
  95 0.83 8
  96 1.5 15
  97 2.7 27
  105 4.4 44
  106 0.19 2
  107 19.1 191
  108 2.9 29
  109 7.6 76
  111 0.15 2
  119 4.7 47
  120 1.7 17
  121 7.5 75
  122 0.26 3
  123 7.4 74
  133 2.3 23
  134 1.9 19
  135 0.4 4
  136 10.1 101
  137 2.1 21
  147 1 10
  148 0.15 2
  161 6.9 69
  162 1.5 15
  189 1.4 14
//