MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004987
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004987
RECORD_TITLE: P-CYANOBENZALDEHYDE DIMETHYLACETAL; 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$NAME: P-CYANOBENZALDEHYDE DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO2
CH$EXACT_MASS: 177.07898
CH$SMILES: N#Cc(c1)ccc(c1)C(OC)OC
CH$IUPAC: InChI=1S/C10H11NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,1-2H3
CH$LINK: INCHIKEY
KAIKLOZUJNGBNP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70544603
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$SPLASH: splash10-0002-1900000000-ad0fe4754b872ecf4203
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
47 0.95 10
50 1.47 15
51 1.93 19
59 1.74 17
74 1.36 14
75 7.86 79
76 2.89 29
77 1.06 11
89 1 10
91 3.65 37
102 8.93 89
103 1.69 17
116 6.32 63
117 1.81 18
118 2.14 21
130 8.33 83
131 1.79 18
146 99.99 999
147 10.81 108
176 1.26 13
177 0.98 10
//
system version 2.2.6-SNAPSHOT