retention time,Identification,target ion (API),parent/molecular ion (MS2),formula,calculated MW,difference,MS2 mass spectrum
,,ESI(-),ESI(-),,,,
10,Isorhamnetin 3-O-rhamnoglucoside,623.1625,623.1625,C28H31O16 [M-H]-,623.1612,0.0013,"ESI(-) [20 V], 623.16248 [[M-H]-, C28H31O16] (100), 315.0510 [C16H11O7] (35.2)"
11.3,dicaffeoylquinate,515.1237,515.1182,C25H23O12 [M-H]-,515.119,0.0008,"ESI(-) [10 V], 515.1182 ([M-H]-, C25H23O12](27.2), 352.0873 [C16H17O9] (100), 191.056 [C7H11O6] (14.0))"
11.8,"Isorhamnetin 3-O-(6""-acetylglucoside)",519.1135,519.1135,C24H23O13 [M-H]-,519.1139,0.0004,"ESI(-) [20 V], 519.1135 [[M-H]-, C24H23O13] (30.4), 315.0501 [C16H11O7] (100)"
13.8,"unknown chlorogenic, 3-caffeoylquinate, 4-caffeoylquinate, Z-caffeoylquinate",353.0873,353.0873,C16H17O9 [M-H]-,353.0891,0.00182,"ESI(-) [20 V], 353.0873 ([M-H]-, C16H17O9](32.2), 191.05701 [C7H11O6] (100), 135.0464 [C8H7O2] (55.3), 127.0410 [C6H7O3] (10.0))"
14.2,"Quercetin 7-(6""-acetylglucoside)",505.1005,505.1005,C23H21O13 [M-H]-,505.0982,0.00228,"ESI(-) [20 V], 505.10049 ([M-H]-, C23H21O13](100), 300.02859 (11.4), 271.02490 (0.80), 255.03081 (0.42), 178.99921 (0.30), 151.00430 (0.33))"
15.6,feroylmalic acid,309.1186,309.1186,C12H21O9 [M-H]-,309.1186,4.00E-05,"ESI(-) [20V], 309.1186 ([M-H]-, C12H21O9) (28.1), 89.0256 [C3H5O3] (100), 71.0153 [C3H3O2] (61.2), 101.0256 [C4H5O3] (38.9), 119.0354 [C4H7O4] (31.2), 113.0258 [C5H5O3] (7.2))"
21.2,unknown containing hydroxycinnamic acid,441.1024,441.1024,C19H21O12 [M-H]-,441.0974,0.00497,"ESI(-) [20 V], 441.1024 [[M-H]-, C19H21O12](56.8), 325.0924 [C15H17O8] (82.4), 163.0404 [C9H7O3] (100)"
,,APCI(+),APCI(+),,,,
4.6,"(7E,9E)-2,6,10-Trimethyl-2,7,9,11-dodecatetraen-6-ol",203.1797 [M-H20+H]+,219.17058,C15H22O [M-2+H]+,219.1725,0.00192,"APCI(+) [10V], 219.1705 ([M-2+H]+, C15H22O) (23.31), 201.1628 ([M-H2O+H]+, C15H21) (19.7))"
8.6,3β-?-p-coumaroyloxy-2α-hydroxy-urs-12-en-28-oic acid,619.3999,619.3999,C39H55O6 [M+H]+,619.3984,0.0015,"APCI(+) [10V], 619.3984 ([M+H]+, C39H55O6) (41.5), 437.3409 [C30H45O2] (100), 411.3246 [C28H43O2] (30.0), 455.3516 [M-hydroxycinnamic acid+H]+ (11.1)"
19.8,trienol linoleate,203.1788 [M-linoleic acid+H]+,485.4338,C33H57O2 [M+H]+,485.4359,0.0021,"APCI(+) [10V], 485.4338 ([M+H]+, C33H57O2) (62.7), 203.1792 ([M-linoleic acid+H]+, C15H23) (100), 105.0691 [C8H9] (41.4), 135.114 [C10H15] (36.4), 119.0847 [C9H11] (35.4), 161.1281 (25.1))"
20.3,farnesyl linoleate,485.4338,485.4338,C33H57O2 [M+H]+,485.4347,0.0009,"APCI(+) [10V], 485.4338 ([M+H]+, C33H57O2) (100), 205.1951 ([M-linoleic acid+H]+, C15H25) (5.4))"
,,APCI(+),APCI(-),,,,
3,Annurcoic acid,469.3331 [M-18+H],485.3288,C30H45O5 [M-H]-,485.3267,0.0021,"APCI(-) [40V], 485.3288 ([M-H]-, C30H45O5) (68.3), 467.3182 [C30H43O4] (100), 423.3284 (25.1), 437.3076 (15.8), 393.3176 [C28H41O] (17.4), 405.3171 (12.5))"
3.8,Pomolic acid,455.3529 [M-18+H],471.3491,C30H47O4 [M-H]-,471.3474,0.0017,"APCI(-) [40V], 471.3474 ([M-H]-, C30H47O4) (76.2), 453.3386 [C30H45O3] (100), 407.3330 (20.2), 427.3593 [C29H47O2] (5.3))"
20.7,Ursolyl linoleate,439.3584 [M-linoleic acid-18+H]+,717.5841,C48H77O4 [M-H]-,717.5822,0.0019,"APCI(-) [40V], 717.5841 ([M-H]-, C48H77O4) (100), 437.3430 [C30H45O2] (2.2), 279.2325 [C18H31O2](1.2))"
,,APCI(+),APCI(+),,,,
16.5,p-coumaryl stearate (p-coumaryl alcohol moiety),133.0642,133.0642,C9H9O M-stearic acid-H2O+H]+,133.0653,0.0011,"APCI(+) [10V], 133.0642 ([M-stearic acid-H2O+H]+, C9H9O) (69.7), 115.0539 [C9H7] (25.9), 105.0696 [C8H9] (100)"
,,,APCI(-),,,,
,p-coumaryl stearate (stearic acid moiety),,283.2646,C18H35O2 [M-hydroxycinnamic alcohol+H2O-H]-,283.2637,0.0009,"APCI(-) [10V], 283.2646 ([M-p-coumaryl alcohol+H2O-H]- (100)"