ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008142
RECORD_TITLE: PENTACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PENTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₂
CH$EXACT_MASS: 352.40690
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY YKNWIILGEFFOPE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060882

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$SPLASH: splash10-0abc-9100000000-dcb78fdbddcdb21348c1
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  41 26.73 267
  42 6.13 61
  43 72.43 724
  53 1.37 14
  54 1.82 18
  55 22.44 224
  56 12.33 123
  57 99.99 999
  58 5.62 56
  67 1.38 14
  68 3.21 32
  69 15.34 153
  70 12.17 122
  71 77.74 777
  72 4.71 47
  81 1.82 18
  82 4.67 47
  83 12.65 127
  84 7.9 79
  85 48.88 489
  86 3.12 31
  96 1.18 12
  97 8.99 90
  98 6.34 63
  99 14.53 145
  111 3.84 38
  112 4.26 43
  113 10.2 102
  125 1.99 20
  126 3.91 39
  127 7.07 71
  140 2.14 21
  141 5.23 52
  154 1.97 20
  155 4.27 43
  168 1.39 14
  169 3.15 32
  182 1.61 16
  183 3.45 35
  196 2.05 21
  197 2.08 21
  210 1.36 14
  211 2.23 22
  225 2.09 21
  239 1.75 18
  253 1.22 12
  267 1.17 12
  295 1.31 13
  352 2.16 22
//