ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005683
RECORD_TITLE: 1-HEPTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1-HEPTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₆O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCCCCO
CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY BBMCTIGTTCKYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021937

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abc-9000000000-ceab83b0d081a68b9a5f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 3.07 31
  28 1.48 15
  29 11.41 114
  31 11.92 119
  39 1.72 17
  41 34.28 343
  42 33.59 336
  43 44.15 442
  44 2.71 27
  45 2.22 22
  53 1.13 11
  54 4.59 46
  55 53.67 537
  56 78.55 786
  57 21.22 212
  58 1.13 11
  67 1.51 15
  68 14.63 146
  69 50.7 507
  70 99.99 999
  71 5.8 58
  73 2.09 21
  83 8.79 88
  97 1.84 18
  98 7.74 77
  99 1.2 12
  115 0.32 3
//