MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004990
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004990
RECORD_TITLE: P-ANISALDEHYDE 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$NAME: P-ANISALDEHYDE DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O3
CH$EXACT_MASS: 182.09429
CH$SMILES: COc(c1)ccc(c1)C(OC)OC
CH$IUPAC: InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
CH$LINK: CAS
2186-92-7
CH$LINK: INCHIKEY
NNHYAHOTXLASEA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3062239
AC$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: splash10-0udi-2900000000-cbe4c3b3e0856695af93
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
47 1.18 12
50 2.37 24
51 4.63 46
53 0.97 10
59 1.61 16
63 3.2 32
64 3.51 35
65 4.13 41
74 1.21 12
75 5.34 53
76 1.94 19
77 10.83 108
78 2.77 28
79 1.49 15
91 3.42 34
92 5.39 54
93 1.02 10
107 3.87 39
108 5.01 50
121 1.44 14
135 34.79 348
136 18.97 190
137 1.94 19
151 99.99 999
152 10.09 101
166 1.99 20
182 5.67 57
//
system version 2.2.6-SNAPSHOT