ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002656
RECORD_TITLE: 2-HEXYLDECANOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2-HEXYLDECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCC(CCCCCC)C(O)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
CH$LINK: INCHIKEY JMOLZNNXZPAGBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044893

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0avi-9600000000-820b256082ea8eaa7bd3
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41 29.9 299
  42 6.3 63
  44 10.4 104
  53 0.82 8
  55 99.99 999
  56 15.3 153
  57 62.5 625
  60 3.48 35
  67 14.9 149
  68 7.1 71
  69 58.8 588
  70 1.31 13
  71 34 340
  73 17.9 179
  74 17.9 179
  77 0.78 8
  81 8.9 89
  82 8.9 89
  83 31.4 314
  84 1.87 19
  85 16.8 168
  87 96.6 966
  88 10.1 101
  97 1.94 19
  98 15.7 157
  101 94 940
  102 9.7 97
  110 0.59 6
  111 7.4 74
  115 47.5 475
  116 6.7 67
  129 6.59 66
  130 8.9 89
  143 33.3 333
  144 11.9 119
  145 1.42 14
  157 43.4 434
  171 15.7 157
  172 75.2 752
  173 0.71 7
  185 30.7 307
  186 6.7 67
  199 11.9 119
  213 0.56 6
  256 13.8 138
//