ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006467
RECORD_TITLE: HEXYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL FORMATE
CH$NAME: FORMIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCCOC=O
CH$IUPAC: InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
CH$LINK: COMPTOX DTXSID8060870
CH$LINK: INCHIKEY OUGPMNMLWKSBRI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61177

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$SPLASH: splash10-0a4l-9000000000-d682a6e12d33e8c3346c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 1.05 11
  26 1.6 16
  27 25.29 253
  28 7.81 78
  29 32.26 323
  31 26.68 267
  39 16.81 168
  40 2.95 30
  41 46.58 466
  42 43 430
  43 44.53 445
  44 2.7 27
  45 2.45 25
  47 2.38 24
  53 2.28 23
  54 4.35 44
  55 47.35 474
  56 99.99 999
  57 6.95 70
  59 1.06 11
  67 1.38 14
  69 28.13 281
  70 1.46 15
  73 1.36 14
  84 14.6 146
  85 1.24 12
  87 2.29 23
//