MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012176

CYCLOHEPTANE; CI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012176
RECORD_TITLE: CYCLOHEPTANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: CYCLOHEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: C(C1)CCCCC1
CH$IUPAC: InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
CH$LINK: CAS 291-64-5
CH$LINK: INCHIKEY DMEGYFMYUHOHGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074269

---

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

---

PK$SPLASH: splash10-0002-9000000000-eee395aed8dac0f7a9b1
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  57 19.1 191
  97 99.99 999
  98 10.02 100
  99 1.1 11
//