MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008704
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008704
RECORD_TITLE: P-METHYLBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: P-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
CH$LINK: INCHIKEY
FXLOVSHXALFLKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9041520
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-01bc-9700000000-ff0e14ae428ad7d54394
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 2.25 23
29 5.74 57
37 1.35 14
38 3.6 36
39 19.58 196
40 1 10
41 2.66 27
50 8.16 82
51 10.62 106
52 1.86 19
53 1.06 11
61 2.28 23
62 7.39 74
63 15.9 159
64 3.21 32
65 26.42 264
66 1.6 16
74 2.3 23
75 1.47 15
77 1.29 13
86 1.41 14
87 1.04 10
89 9.79 98
90 3.82 38
91 92.09 921
92 10.76 108
119 99.99 999
120 82.84 828
121 7.59 76
//