MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003140
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003140
RECORD_TITLE: N-BUTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: N-BUTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
CH$LINK: INCHIKEY
XSIFPSYPOVKYCO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8040694
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0ab9-3900000000-ffdf8a82782a558951ee
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
50 6 60
51 14 140
56 26 260
77 42 420
79 5 50
105 99.99 999
106 8 80
122 20 200
123 87 870
124 4 40
178 4 40
//