ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008689
RECORD_TITLE: UNDECANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: UNDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
CH$LINK: COMPTOX DTXSID4021688
CH$LINK: INCHIKEY KMPQYAYAQWNLME-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8186

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$SPLASH: splash10-052f-9000000000-2fcad3720d90d5be38ab
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 1.96 20
  27 44.07 441
  29 57.74 577
  30 1.34 13
  39 24.05 241
  41 98.93 989
  42 23.21 232
  43 99.99 999
  44 43.04 430
  45 13.39 134
  51 1.78 18
  53 7.03 70
  54 14.85 149
  55 64.49 645
  56 38.73 387
  57 74.18 742
  58 5.02 50
  66 5.04 50
  67 24.53 245
  68 35.42 354
  69 31.25 313
  70 22.73 227
  71 28.01 280
  72 6.24 62
  79 2.15 22
  80 1.65 17
  81 21.12 211
  82 48.62 486
  83 19.28 193
  84 15.94 159
  85 13.43 134
  86 2.27 23
  95 17.77 178
  96 18.15 182
  97 14.87 149
  98 6.5 65
  99 2.57 26
  109 7.32 73
  110 8.16 82
  111 1.53 15
  123 3.28 33
  124 7.78 78
  126 14.82 148
  127 1.23 12
  142 2.93 29
//