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MassBank Record: JP012251

1-PROPENYLBENZENE; CI-B; MS

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

ACCESSION: JP012251
RECORD_TITLE: 1-PROPENYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-PROPENYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10
CH$EXACT_MASS: 118.07825
CH$SMILES: CC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
CH$LINK: CAS 637-50-3
CH$LINK: INCHIKEY QROGIFZRVHSFLM-QHHAFSJGSA-N

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-014i-1900000000-eeed613e8155df521946
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  91 29.35 294
  92 2.14 21
  105 3.6 36
  117 4.41 44
  118 7.23 72
  119 99.99 999
  120 10.15 102
  147 17.96 180
  148 2.57 26
  159 3.06 31
//

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