ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004239
RECORD_TITLE: 2-HEXYLDECANOIC ACID METHYL ESTER; 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$NAME: 2-HEXYLDECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCC(CCCCCC)C(=O)OC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-6-8-10-11-13-15-16(17(18)19-3)14-12-9-7-5-2/h16H,4-15H2,1-3H3
CH$LINK: COMPTOX DTXSID40970218
CH$LINK: INCHIKEY PBRCCXNUTAGYJI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:108264
AC$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: splash10-052u-9600000000-5c26b4505ed985af10ae
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  41 25.2 252
  42 4.8 48
  43 30.8 308
  53 0.24 2
  54 2.1 21
  55 29.7 297
  56 4.8 48
  57 1.93 19
  67 4 40
  68 2.1 21
  69 19.3 193
  70 0.29 3
  71 9.1 91
  74 3.4 34
  75 1.6 16
  79 0.08 1
  81 2.9 29
  82 1 10
  83 9.6 96
  84 0.34 3
  85 5.3 53
  87 99.99 999
  88 6.9 69
  95 0.21 2
  97 6.4 64
  98 3.7 37
  99 1.8 18
  101 2.62 26
  102 2.1 21
  111 2.6 26
  113 1.3 13
  115 3.05 31
  116 3.2 32
  125 0.8 8
  127 1.3 13
  129 1.71 17
  130 2.4 24
  143 28.4 284
  144 3.4 34
  157 1.23 12
  158 65.9 659
  159 6.1 61
  169 1.3 13
  171 1.5 15
  172 2.1 21
  185 6.1 61
  186 43.4 434
  187 0.48 5
  199 11.7 117
  200 1.8 18
  211 1.6 16
  213 0.45 5
  227 1 10
  239 1.3 13
  241 1.3 13
  270 0.48 5
  271 0.8 8
//
