MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008932
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008932
RECORD_TITLE: PARA-ETHYLBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-ETHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: CCc(c1)ccc(C=O)c1
CH$IUPAC: InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
CH$LINK: COMPTOX
DTXSID0047080
CH$LINK: INCHIKEY
QNGNSVIICDLXHT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:20861
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-001i-3900000000-d03f4f4d16760a07a4e0
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 1.7 17
28 1 10
43 1.2 12
51 0.1 1
65 5.4 54
71 1.7 17
77 11.7 117
78 0.34 3
79 17.2 172
80 1 10
89 1.5 15
90 0.36 4
91 55.4 554
92 4.2 42
103 7.1 71
104 0.26 3
105 52.2 522
106 6.6 66
118 1.2 12
119 1.65 17
120 1.7 17
133 91.5 915
134 99.99 999
135 9.9 99
//
system version 2.2.6-SNAPSHOT