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MassBank Record: JP003798

N-(3-CHLOROPROPYL)MORPHOLINE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003798
RECORD_TITLE: N-(3-CHLOROPROPYL)MORPHOLINE; CI-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$NAME: N-(3-CHLOROPROPYL)MORPHOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14ClNO
CH$EXACT_MASS: 163.07639
CH$SMILES: ClCCCN(C1)CCOC1
CH$IUPAC: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
CH$LINK: INCHIKEY PIAZYBLGBSMNLX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70223769

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0j4i-0900000000-9f85252ed2a88f60653f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  61 3.62 36
  68 0.63 6
  70 5.05 51
  71 0.51 5
  72 0.66 7
  77 0.32 3
  82 0.33 3
  84 0.87 9
  86 0.42 4
  96 0.21 2
  98 5.24 52
  99 0.89 9
  100 80.82 808
  101 7.29 73
  102 0.53 5
  104 0.21 2
  106 0.1 1
  112 0.19 2
  114 0.15 2
  118 0.66 7
  120 0.34 3
  126 0.22 2
  127 0.47 5
  128 49.56 496
  129 5.27 53
  130 0.45 5
  132 0.5 5
  134 0.26 3
  146 0.42 4
  148 0.31 3
  162 25.95 260
  163 31.25 313
  164 99.99 999
  165 33.87 339
  166 62.33 623
  167 7.07 71
  168 0.51 5
//

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