MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002475
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002475
RECORD_TITLE: N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE; 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$NAME: N-BENZYL-3-HYDROXYMETHYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H17NO
CH$EXACT_MASS: 191.13101
CH$SMILES: OCC(C2)CN(C2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
CH$LINK: INCHIKEY
QPQQBJDSKDWQMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90409189
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$SPLASH: splash10-0006-9600000000-403650cf549010ef653d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
40 5.51 55
42 48.67 487
43 5.2 52
44 5.26 53
45 1.7 17
51 3.21 32
53 1.66 17
55 5.97 60
57 2.02 20
59 2.04 20
63 2.46 25
65 14.3 143
68 2.2 22
70 1.52 15
71 4.52 45
72 1.68 17
77 2.69 27
82 3.95 40
89 2.85 29
90 1.81 18
91 99.99 999
92 15.31 153
100 29.99 300
101 1.8 18
104 1.97 20
105 1.65 17
106 4.83 48
107 4.12 41
114 32.9 329
115 2.51 25
118 2.8 28
120 3.86 39
132 7.02 70
133 4.96 50
134 1.62 16
190 33.84 338
191 30.3 303
192 3.93 39
//
system version 2.2.8-SNAPSHOT