ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000311
RECORD_TITLE: N-ISOPROPYLACETAMIDE; 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$NAME: N-ISOPROPYLACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₁NO
CH$EXACT_MASS: 101.08406
CH$SMILES: CC(C)NC(C)=O
CH$IUPAC: InChI=1S/C5H11NO/c1-4(2)6-5(3)7/h4H,1-3H3,(H,6,7)
CH$LINK: INCHIKEY PDUSWJORWQPNRP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30149739

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 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-c25769dbb06f820ade77
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 7.7 77
  27 3.5 35
  28 3.9 39
  30 0.23 2
  39 2.4 24
  41 5.9 59
  42 8.3 83
  43 2.41 24
  44 99.99 999
  45 2.1 21
  57 2 20
  58 1.04 10
  60 3.6 36
  71 6.4 64
  86 9.4 94
  101 2.04 20
  102 2.4 24
//