ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002475
RECORD_TITLE: N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE; 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$NAME: N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₇NO
CH$EXACT_MASS: 191.13101
CH$SMILES: OCC(C2)CN(C2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
CH$LINK: INCHIKEY QPQQBJDSKDWQMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90409189

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9600000000-403650cf549010ef653d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  40 5.51 55
  42 48.67 487
  43 5.2 52
  44 5.26 53
  45 1.7 17
  51 3.21 32
  53 1.66 17
  55 5.97 60
  57 2.02 20
  59 2.04 20
  63 2.46 25
  65 14.3 143
  68 2.2 22
  70 1.52 15
  71 4.52 45
  72 1.68 17
  77 2.69 27
  82 3.95 40
  89 2.85 29
  90 1.81 18
  91 99.99 999
  92 15.31 153
  100 29.99 300
  101 1.8 18
  104 1.97 20
  105 1.65 17
  106 4.83 48
  107 4.12 41
  114 32.9 329
  115 2.51 25
  118 2.8 28
  120 3.86 39
  132 7.02 70
  133 4.96 50
  134 1.62 16
  190 33.84 338
  191 30.3 303
  192 3.93 39
//