ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007691
RECORD_TITLE: HEPTADECANE; 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$NAME: HEPTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₆
CH$EXACT_MASS: 240.28170
CH$SMILES: CCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
CH$LINK: CAS 629-78-7
CH$LINK: INCHIKEY NDJKXXJCMXVBJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047061

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$SPLASH: splash10-0a4i-9000000000-415b614e80029b0ad229
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  40 2.4 24
  41 44.8 448
  42 11.5 115
  43 9.68 97
  44 4.1 41
  53 1.5 15
  54 1.9 19
  55 1.96 20
  56 14 140
  57 99.99 999
  58 4.4 44
  67 0.15 2
  68 1.3 13
  69 7.6 76
  70 8.5 85
  71 5.25 53
  72 2.8 28
  82 1.3 13
  83 4.1 41
  84 0.43 4
  85 28.8 288
  86 2 20
  97 2.6 26
  98 0.26 3
  99 7.4 74
  111 1.2 12
  112 1.7 17
  113 0.37 4
  126 1.2 12
  127 2.1 21
  140 0.8 8
  141 0.13 1
  154 0.5 5
  155 0.8 8
  168 0.4 4
  169 0.07 1
  182 0.3 3
  183 0.5 5
  196 0.1 1
  197 0.03 0
  211 0.1 1
  240 0.7 7
  241 0.1 1
//