ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006744
RECORD_TITLE: N-(3-(4-HYDROXYPHENYL)PROPIONYL)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$NAME: N-(3-(4-HYDROXYPHENYL)PROPIONYL)PYRROLIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅NO₃
CH$EXACT_MASS: 233.10519
CH$SMILES: Oc(c2)ccc(c2)CCC(=O)N(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C13H15NO3/c15-11-6-3-10(4-7-11)5-8-13(17)14-9-1-2-12(14)16/h3-4,6-7,15H,1-2,5,8-9H2
CH$LINK: INCHIKEY NJDGMWIATFNDSL-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$SPLASH: splash10-00dr-6910000000-5d22fdc66536658363f5
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  41 1.3 13
  42 1 10
  43 3.5 35
  44 1 10
  45 1.3 13
  55 2.5 25
  56 2 20
  57 5.2 52
  58 1 10
  60 2.8 28
  61 1 10
  67 1 10
  68 1 10
  69 6 60
  70 2 20
  71 3.5 35
  73 2.5 25
  77 1 10
  81 3.5 35
  82 1.8 18
  83 2.8 28
  84 3 30
  85 4 40
  86 65 650
  87 4 40
  91 2 20
  92 1 10
  93 1 10
  94 1.8 18
  95 2 20
  96 1.2 12
  97 2.5 25
  98 3 30
  99 2 20
  100 4.5 45
  101 1 10
  103 1 10
  107 22 220
  108 2 20
  109 1 10
  110 1 10
  111 1.8 18
  112 1.2 12
  113 1 10
  119 2.5 25
  120 99.99 999
  121 12 120
  122 1 10
  123 1 10
  127 1.5 15
  129 1.2 12
  131 1.5 15
  135 1 10
  136 1 10
  137 1.2 12
  140 4.5 45
  141 1 10
  147 5 50
  148 12 120
  149 3.7 37
  152 1 10
  165 1 10
  167 1.2 12
  176 1 10
  177 1 10
  179 1 10
  180 3 30
  233 30 300
  234 5.2 52
  235 1 10
//