ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006746
RECORD_TITLE: N-(3-PHENYLBUTYRYL)PYRROLIDIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-(3-PHENYLBUTYRYL)PYRROLIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.12593
CH$SMILES: O=C(C2)N(CC2)C(=O)CC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H17NO2/c1-11(12-6-3-2-4-7-12)10-14(17)15-9-5-8-13(15)16/h2-4,6-7,11H,5,8-10H2,1H3
CH$LINK: INCHIKEY GHTXJZLTXSIGLG-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6G
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014s-4920000000-734583e726d6437311c6
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  69 2.5 25
  77 1 10
  78 3 30
  79 3 30
  84 2.5 25
  85 5.5 55
  86 99.99 999
  87 6 60
  91 4.5 45
  98 18 180
  99 6 60
  100 1 10
  103 6 60
  104 3 30
  105 40 400
  106 4 40
  115 1 10
  116 1.5 15
  117 10.5 105
  118 98 980
  119 11 110
  120 1.5 15
  126 1 10
  127 10.5 105
  128 2 20
  129 1 10
  131 22 220
  132 3 30
  144 1 10
  145 11 110
  146 37 370
  147 6 60
  148 1 10
  160 4 40
  161 2 20
  174 1 10
  188 1 10
  213 6.5 65
  214 1 10
  216 17 170
  217 3 30
  231 30 300
  232 6.5 65
  233 1 10
//