ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005881
RECORD_TITLE: PIVALOYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PIVALOYL CHLORIDE
CH$NAME: TRIMETHYLACETYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉ClO
CH$EXACT_MASS: 120.03419
CH$SMILES: CC(C)(C)C(=O)Cl
CH$IUPAC: InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3
CH$LINK: INCHIKEY JVSFQJZRHXAUGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027529

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-794c801034004ec757e1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 2.11 21
  26 1.48 15
  27 7.82 78
  28 3.17 32
  29 30.02 300
  37 1.06 11
  38 2.33 23
  39 13.95 140
  40 2.33 23
  41 47.99 480
  42 4.23 42
  50 1.06 11
  53 1.06 11
  55 3.17 32
  56 2.33 23
  57 99.99 999
  58 4.23 42
  63 1.43 14
  77 3.81 38
  79 1.06 11
  85 2.33 23
//