MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001849

2-METHYLHEPTANE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001849
RECORD_TITLE: 2-METHYLHEPTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

---

CH$NAME: 2-METHYLHEPTANE
CH$NAME: ISOOCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈
CH$EXACT_MASS: 114.14085
CH$SMILES: CCCCCC(C)C
CH$IUPAC: InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY JVSWJIKNEAIKJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060460

---

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-9000000000-8f0a0db80b2d392156d2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 3.67 37
  28 1.3 13
  29 7.99 80
  39 3.59 36
  41 19.79 198
  42 1.03 10
  43 17.6 176
  55 2.64 26
  56 29.33 293
  57 99.99 999
  58 4.33 43
  99 3.74 37
//